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/evo_s1-9234e141/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s1-9234e141/inputs/seq.fa: 1
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s1-9234e141/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s1-9234e141/inputs/seq.fa: 1
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s1-9234e141/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s1-9234e141/inputs/seq.fa: 1
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s1-9234e141/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s1-9234e141/inputs/seq.fa: 1
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s1-9234e141/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s1-9234e141/inputs/seq.fa: 1
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s1-9234e141/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s1-9234e141/inputs/seq.fa: 1
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s1-9234e141/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s1-9234e141/inputs/seq.fa: 1
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s1-9234e141/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s1-9234e141/inputs/seq.fa: 1
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s1-9234e141/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s1-9234e141/inputs/seq.fa: 1
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s1-9234e141/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s1-9234e141/inputs/seq.fa: 1
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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: -212.016345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.016345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016345 (E_RNA)
where:
Base-Base interactions energy: -5.401
where: short stacking energy: -5.401
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -212.016345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.016345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016345 (E_RNA)
where:
Base-Base interactions energy: -5.401
where: short stacking energy: -5.401
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -212.016345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.016345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016345 (E_RNA)
where:
Base-Base interactions energy: -5.401
where: short stacking energy: -5.401
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -212.016345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.016345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016345 (E_RNA)
where:
Base-Base interactions energy: -5.401
where: short stacking energy: -5.401
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -212.016345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.016345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016345 (E_RNA)
where:
Base-Base interactions energy: -5.401
where: short stacking energy: -5.401
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -212.016345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.016345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016345 (E_RNA)
where:
Base-Base interactions energy: -5.401
where: short stacking energy: -5.401
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -212.016345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.016345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016345 (E_RNA)
where:
Base-Base interactions energy: -5.401
where: short stacking energy: -5.401
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -212.016345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.016345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016345 (E_RNA)
where:
Base-Base interactions energy: -5.401
where: short stacking energy: -5.401
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -212.016345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.016345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016345 (E_RNA)
where:
Base-Base interactions energy: -5.401
where: short stacking energy: -5.401
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -212.016345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.016345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016345 (E_RNA)
where:
Base-Base interactions energy: -5.401
where: short stacking energy: -5.401
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -286.449191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.449191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.449191 (E_RNA)
where:
Base-Base interactions energy: -115.571
where: short stacking energy: -111.332
Base-Backbone interact. energy: -0.515
local terms energy: -170.362504
where:
bonds (distance) C4'-P energy: -33.707
bonds (distance) P-C4' energy: -38.103
flat angles C4'-P-C4' energy: -38.402
flat angles P-C4'-P energy: -27.264
tors. eta vs tors. theta energy: -32.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -258.867573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.867573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.867573 (E_RNA)
where:
Base-Base interactions energy: -96.075
where: short stacking energy: -90.806
Base-Backbone interact. energy: -0.249
local terms energy: -162.543848
where:
bonds (distance) C4'-P energy: -36.024
bonds (distance) P-C4' energy: -31.902
flat angles C4'-P-C4' energy: -36.675
flat angles P-C4'-P energy: -29.740
tors. eta vs tors. theta energy: -28.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -284.675365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.675365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.675365 (E_RNA)
where:
Base-Base interactions energy: -151.585
where: short stacking energy: -74.780
Base-Backbone interact. energy: 0.479
local terms energy: -133.569200
where:
bonds (distance) C4'-P energy: -39.038
bonds (distance) P-C4' energy: -31.540
flat angles C4'-P-C4' energy: -25.768
flat angles P-C4'-P energy: -25.607
tors. eta vs tors. theta energy: -11.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -243.669880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.669880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.669880 (E_RNA)
where:
Base-Base interactions energy: -100.976
where: short stacking energy: -87.411
Base-Backbone interact. energy: -0.042
local terms energy: -142.651797
where:
bonds (distance) C4'-P energy: -33.564
bonds (distance) P-C4' energy: -32.252
flat angles C4'-P-C4' energy: -36.909
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: -19.348
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -211.141401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.141401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.141401 (E_RNA)
where:
Base-Base interactions energy: -5.400
where: short stacking energy: -5.400
Base-Backbone interact. energy: -0.000
local terms energy: -205.741104
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -44.439
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -211.141379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.141379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.141379 (E_RNA)
where:
Base-Base interactions energy: -5.400
where: short stacking energy: -5.400
Base-Backbone interact. energy: -0.000
local terms energy: -205.741104
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -44.439
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -211.141355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.141355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.141355 (E_RNA)
where:
Base-Base interactions energy: -5.400
where: short stacking energy: -5.400
Base-Backbone interact. energy: -0.000
local terms energy: -205.741104
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -44.439
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -211.141331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.141331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.141331 (E_RNA)
where:
Base-Base interactions energy: -5.400
where: short stacking energy: -5.400
Base-Backbone interact. energy: -0.000
local terms energy: -205.741104
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -44.439
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -211.178548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.178548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.178548 (E_RNA)
where:
Base-Base interactions energy: -5.400
where: short stacking energy: -5.400
Base-Backbone interact. energy: -0.000
local terms energy: -205.778346
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -44.476
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -211.178521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.178521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.178521 (E_RNA)
where:
Base-Base interactions energy: -5.400
where: short stacking energy: -5.400
Base-Backbone interact. energy: -0.000
local terms energy: -205.778346
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -44.476
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -351.520159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.520159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.520159 (E_RNA)
where:
Base-Base interactions energy: -197.237
where: short stacking energy: -93.016
Base-Backbone interact. energy: -0.371
local terms energy: -153.911705
where:
bonds (distance) C4'-P energy: -39.460
bonds (distance) P-C4' energy: -33.621
flat angles C4'-P-C4' energy: -31.012
flat angles P-C4'-P energy: -24.324
tors. eta vs tors. theta energy: -25.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -340.795809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.795809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.795809 (E_RNA)
where:
Base-Base interactions energy: -205.207
where: short stacking energy: -105.108
Base-Backbone interact. energy: -0.199
local terms energy: -135.389375
where:
bonds (distance) C4'-P energy: -33.088
bonds (distance) P-C4' energy: -30.532
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -239.690576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.690576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.690576 (E_RNA)
where:
Base-Base interactions energy: -88.401
where: short stacking energy: -87.984
Base-Backbone interact. energy: -0.151
local terms energy: -151.139425
where:
bonds (distance) C4'-P energy: -34.103
bonds (distance) P-C4' energy: -36.547
flat angles C4'-P-C4' energy: -37.610
flat angles P-C4'-P energy: -20.190
tors. eta vs tors. theta energy: -22.690
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -246.100926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.100926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.100926 (E_RNA)
where:
Base-Base interactions energy: -112.981
where: short stacking energy: -79.514
Base-Backbone interact. energy: -0.886
local terms energy: -132.233417
where:
bonds (distance) C4'-P energy: -33.147
bonds (distance) P-C4' energy: -30.692
flat angles C4'-P-C4' energy: -32.071
flat angles P-C4'-P energy: -22.316
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -193.239485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.239485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.239485 (E_RNA)
where:
Base-Base interactions energy: -65.611
where: short stacking energy: -61.377
Base-Backbone interact. energy: -0.560
local terms energy: -127.068384
where:
bonds (distance) C4'-P energy: -33.187
bonds (distance) P-C4' energy: -29.796
flat angles C4'-P-C4' energy: -25.028
flat angles P-C4'-P energy: -26.425
tors. eta vs tors. theta energy: -12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -227.693706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.693706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.693706 (E_RNA)
where:
Base-Base interactions energy: -110.652
where: short stacking energy: -73.697
Base-Backbone interact. energy: 3.138
local terms energy: -120.179926
where:
bonds (distance) C4'-P energy: -35.561
bonds (distance) P-C4' energy: -34.936
flat angles C4'-P-C4' energy: -24.402
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -11.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -193.264591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.264591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.264591 (E_RNA)
where:
Base-Base interactions energy: -72.843
where: short stacking energy: -61.881
Base-Backbone interact. energy: 0.148
local terms energy: -120.570310
where:
bonds (distance) C4'-P energy: -33.905
bonds (distance) P-C4' energy: -28.632
flat angles C4'-P-C4' energy: -31.074
flat angles P-C4'-P energy: -21.173
tors. eta vs tors. theta energy: -5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -175.340177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.340177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.340177 (E_RNA)
where:
Base-Base interactions energy: -58.857
where: short stacking energy: -34.813
Base-Backbone interact. energy: 4.145
local terms energy: -120.627938
where:
bonds (distance) C4'-P energy: -35.262
bonds (distance) P-C4' energy: -40.699
flat angles C4'-P-C4' energy: -24.609
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -3.198
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: 3
Temperature: 1.300000
Total energy: -153.838807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.838807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.838807 (E_RNA)
where:
Base-Base interactions energy: -45.584
where: short stacking energy: -38.678
Base-Backbone interact. energy: -0.333
local terms energy: -107.921904
where:
bonds (distance) C4'-P energy: -35.583
bonds (distance) P-C4' energy: -36.609
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: 11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -160.496134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.496134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.496134 (E_RNA)
where:
Base-Base interactions energy: -58.064
where: short stacking energy: -45.231
Base-Backbone interact. energy: 2.068
local terms energy: -104.500222
where:
bonds (distance) C4'-P energy: -30.655
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -26.722
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -379.553647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.553647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.553647 (E_RNA)
where:
Base-Base interactions energy: -229.945
where: short stacking energy: -108.339
Base-Backbone interact. energy: -0.402
local terms energy: -149.206449
where:
bonds (distance) C4'-P energy: -33.898
bonds (distance) P-C4' energy: -39.262
flat angles C4'-P-C4' energy: -33.320
flat angles P-C4'-P energy: -19.223
tors. eta vs tors. theta energy: -23.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -363.156143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.156143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.156143 (E_RNA)
where:
Base-Base interactions energy: -209.420
where: short stacking energy: -90.721
Base-Backbone interact. energy: -0.494
local terms energy: -153.242363
where:
bonds (distance) C4'-P energy: -33.635
bonds (distance) P-C4' energy: -38.394
flat angles C4'-P-C4' energy: -32.455
flat angles P-C4'-P energy: -27.383
tors. eta vs tors. theta energy: -21.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -291.319174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.319174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.319174 (E_RNA)
where:
Base-Base interactions energy: -169.741
where: short stacking energy: -78.251
Base-Backbone interact. energy: -0.528
local terms energy: -121.050210
where:
bonds (distance) C4'-P energy: -34.125
bonds (distance) P-C4' energy: -40.913
flat angles C4'-P-C4' energy: -29.188
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -10.056
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: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -224.938379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.938379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.938379 (E_RNA)
where:
Base-Base interactions energy: -97.119
where: short stacking energy: -79.007
Base-Backbone interact. energy: -1.046
local terms energy: -126.773017
where:
bonds (distance) C4'-P energy: -28.785
bonds (distance) P-C4' energy: -31.278
flat angles C4'-P-C4' energy: -33.462
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -281.576932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.576932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.576932 (E_RNA)
where:
Base-Base interactions energy: -163.474
where: short stacking energy: -76.570
Base-Backbone interact. energy: -0.523
local terms energy: -117.579180
where:
bonds (distance) C4'-P energy: -28.208
bonds (distance) P-C4' energy: -31.797
flat angles C4'-P-C4' energy: -28.103
flat angles P-C4'-P energy: -16.659
tors. eta vs tors. theta energy: -12.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -193.300445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.300445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.300445 (E_RNA)
where:
Base-Base interactions energy: -74.843
where: short stacking energy: -70.727
Base-Backbone interact. energy: -1.295
local terms energy: -117.162344
where:
bonds (distance) C4'-P energy: -35.171
bonds (distance) P-C4' energy: -33.090
flat angles C4'-P-C4' energy: -23.221
flat angles P-C4'-P energy: -19.886
tors. eta vs tors. theta energy: -5.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -195.380382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.380382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.380382 (E_RNA)
where:
Base-Base interactions energy: -94.847
where: short stacking energy: -47.835
Base-Backbone interact. energy: -0.775
local terms energy: -99.758852
where:
bonds (distance) C4'-P energy: -25.769
bonds (distance) P-C4' energy: -35.012
flat angles C4'-P-C4' energy: -26.898
flat angles P-C4'-P energy: -21.014
tors. eta vs tors. theta energy: 8.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -175.806094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.806094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.806094 (E_RNA)
where:
Base-Base interactions energy: -73.798
where: short stacking energy: -41.264
Base-Backbone interact. energy: 0.311
local terms energy: -102.318489
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -29.461
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -1.475
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: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -169.363275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.363275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.363275 (E_RNA)
where:
Base-Base interactions energy: -68.743
where: short stacking energy: -44.554
Base-Backbone interact. energy: 1.018
local terms energy: -101.637648
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -28.172
flat angles C4'-P-C4' energy: -27.190
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -4.447
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: 4
Temperature: 1.350000
Total energy: -165.918040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.918040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.918040 (E_RNA)
where:
Base-Base interactions energy: -63.648
where: short stacking energy: -48.638
Base-Backbone interact. energy: 0.044
local terms energy: -102.314159
where:
bonds (distance) C4'-P energy: -27.602
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -6.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -391.063825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.063825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.063825 (E_RNA)
where:
Base-Base interactions energy: -247.517
where: short stacking energy: -118.371
Base-Backbone interact. energy: 1.328
local terms energy: -144.874461
where:
bonds (distance) C4'-P energy: -37.453
bonds (distance) P-C4' energy: -36.126
flat angles C4'-P-C4' energy: -27.756
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -404.474426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.474426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.474426 (E_RNA)
where:
Base-Base interactions energy: -255.057
where: short stacking energy: -118.832
Base-Backbone interact. energy: 0.055
local terms energy: -149.472384
where:
bonds (distance) C4'-P energy: -36.182
bonds (distance) P-C4' energy: -34.069
flat angles C4'-P-C4' energy: -33.996
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -29.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -306.664817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.664817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.664817 (E_RNA)
where:
Base-Base interactions energy: -166.940
where: short stacking energy: -88.984
Base-Backbone interact. energy: 0.055
local terms energy: -139.779688
where:
bonds (distance) C4'-P energy: -36.194
bonds (distance) P-C4' energy: -29.602
flat angles C4'-P-C4' energy: -30.260
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -21.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -322.906065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.906065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.906065 (E_RNA)
where:
Base-Base interactions energy: -192.645
where: short stacking energy: -102.972
Base-Backbone interact. energy: -0.208
local terms energy: -130.052789
where:
bonds (distance) C4'-P energy: -30.567
bonds (distance) P-C4' energy: -36.349
flat angles C4'-P-C4' energy: -30.309
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -20.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -245.790321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.790321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.790321 (E_RNA)
where:
Base-Base interactions energy: -118.158
where: short stacking energy: -85.967
Base-Backbone interact. energy: 2.077
local terms energy: -129.709433
where:
bonds (distance) C4'-P energy: -24.315
bonds (distance) P-C4' energy: -35.286
flat angles C4'-P-C4' energy: -38.052
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -216.197875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.197875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.197875 (E_RNA)
where:
Base-Base interactions energy: -96.519
where: short stacking energy: -65.278
Base-Backbone interact. energy: -0.741
local terms energy: -118.937983
where:
bonds (distance) C4'-P energy: -30.334
bonds (distance) P-C4' energy: -30.772
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -11.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -211.867842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.867842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.867842 (E_RNA)
where:
Base-Base interactions energy: -111.655
where: short stacking energy: -55.146
Base-Backbone interact. energy: 0.391
local terms energy: -100.604143
where:
bonds (distance) C4'-P energy: -31.734
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -34.390
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -3.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -193.564320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.564320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.564320 (E_RNA)
where:
Base-Base interactions energy: -88.569
where: short stacking energy: -53.477
Base-Backbone interact. energy: -0.889
local terms energy: -104.106993
where:
bonds (distance) C4'-P energy: -27.444
bonds (distance) P-C4' energy: -38.956
flat angles C4'-P-C4' energy: -33.940
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: 0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -169.923242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.923242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.923242 (E_RNA)
where:
Base-Base interactions energy: -67.340
where: short stacking energy: -44.630
Base-Backbone interact. energy: -1.956
local terms energy: -100.626944
where:
bonds (distance) C4'-P energy: -27.466
bonds (distance) P-C4' energy: -36.031
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -147.763195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.763195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.763195 (E_RNA)
where:
Base-Base interactions energy: -65.425
where: short stacking energy: -32.248
Base-Backbone interact. energy: 1.214
local terms energy: -83.552719
where:
bonds (distance) C4'-P energy: -28.758
bonds (distance) P-C4' energy: -32.646
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: 7.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -424.914591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.914591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.914591 (E_RNA)
where:
Base-Base interactions energy: -257.862
where: short stacking energy: -117.301
Base-Backbone interact. energy: -0.472
local terms energy: -166.581094
where:
bonds (distance) C4'-P energy: -34.912
bonds (distance) P-C4' energy: -38.441
flat angles C4'-P-C4' energy: -37.576
flat angles P-C4'-P energy: -26.058
tors. eta vs tors. theta energy: -29.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -407.503166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.503166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.503166 (E_RNA)
where:
Base-Base interactions energy: -254.324
where: short stacking energy: -119.491
Base-Backbone interact. energy: -1.218
local terms energy: -151.961056
where:
bonds (distance) C4'-P energy: -32.385
bonds (distance) P-C4' energy: -34.705
flat angles C4'-P-C4' energy: -32.652
flat angles P-C4'-P energy: -23.468
tors. eta vs tors. theta energy: -28.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -354.941725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.941725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.941725 (E_RNA)
where:
Base-Base interactions energy: -217.337
where: short stacking energy: -87.538
Base-Backbone interact. energy: -0.054
local terms energy: -137.550678
where:
bonds (distance) C4'-P energy: -34.856
bonds (distance) P-C4' energy: -28.798
flat angles C4'-P-C4' energy: -39.764
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -295.833419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.833419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.833419 (E_RNA)
where:
Base-Base interactions energy: -150.853
where: short stacking energy: -91.114
Base-Backbone interact. energy: 0.978
local terms energy: -145.958850
where:
bonds (distance) C4'-P energy: -32.298
bonds (distance) P-C4' energy: -33.400
flat angles C4'-P-C4' energy: -33.631
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -25.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -302.347557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.347557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.347557 (E_RNA)
where:
Base-Base interactions energy: -178.761
where: short stacking energy: -74.119
Base-Backbone interact. energy: -0.633
local terms energy: -122.954310
where:
bonds (distance) C4'-P energy: -29.950
bonds (distance) P-C4' energy: -32.700
flat angles C4'-P-C4' energy: -28.560
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -303.414083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.414083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.414083 (E_RNA)
where:
Base-Base interactions energy: -172.294
where: short stacking energy: -89.248
Base-Backbone interact. energy: -1.698
local terms energy: -129.422231
where:
bonds (distance) C4'-P energy: -26.994
bonds (distance) P-C4' energy: -34.179
flat angles C4'-P-C4' energy: -27.870
flat angles P-C4'-P energy: -23.210
tors. eta vs tors. theta energy: -17.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -205.385218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.385218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.385218 (E_RNA)
where:
Base-Base interactions energy: -90.894
where: short stacking energy: -56.747
Base-Backbone interact. energy: -0.547
local terms energy: -113.944079
where:
bonds (distance) C4'-P energy: -28.694
bonds (distance) P-C4' energy: -38.727
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -20.902
tors. eta vs tors. theta energy: -5.635
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: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -224.146743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.146743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.146743 (E_RNA)
where:
Base-Base interactions energy: -118.468
where: short stacking energy: -70.817
Base-Backbone interact. energy: -0.500
local terms energy: -105.178502
where:
bonds (distance) C4'-P energy: -31.399
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -32.263
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -6.872
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: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -146.946786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.946786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.946786 (E_RNA)
where:
Base-Base interactions energy: -52.568
where: short stacking energy: -44.045
Base-Backbone interact. energy: 1.568
local terms energy: -95.946397
where:
bonds (distance) C4'-P energy: -28.948
bonds (distance) P-C4' energy: -36.086
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: 9.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -154.443647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.443647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.443647 (E_RNA)
where:
Base-Base interactions energy: -64.120
where: short stacking energy: -45.461
Base-Backbone interact. energy: 0.127
local terms energy: -90.450605
where:
bonds (distance) C4'-P energy: -36.200
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -28.544
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: 3.982
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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -425.462031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.462031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.462031 (E_RNA)
where:
Base-Base interactions energy: -259.736
where: short stacking energy: -127.675
Base-Backbone interact. energy: -0.842
local terms energy: -164.883387
where:
bonds (distance) C4'-P energy: -35.144
bonds (distance) P-C4' energy: -31.867
flat angles C4'-P-C4' energy: -36.808
flat angles P-C4'-P energy: -27.233
tors. eta vs tors. theta energy: -33.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -406.364443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.364443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.364443 (E_RNA)
where:
Base-Base interactions energy: -259.666
where: short stacking energy: -108.798
Base-Backbone interact. energy: -0.776
local terms energy: -145.922767
where:
bonds (distance) C4'-P energy: -24.611
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -28.947
flat angles P-C4'-P energy: -25.653
tors. eta vs tors. theta energy: -30.038
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: 7
Temperature: 1.000000
Total energy: -388.325317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.325317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.325317 (E_RNA)
where:
Base-Base interactions energy: -251.389
where: short stacking energy: -124.667
Base-Backbone interact. energy: -1.159
local terms energy: -135.777304
where:
bonds (distance) C4'-P energy: -35.647
bonds (distance) P-C4' energy: -29.933
flat angles C4'-P-C4' energy: -34.215
flat angles P-C4'-P energy: -3.259
tors. eta vs tors. theta energy: -32.724
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: 8
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -298.589859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.589859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.589859 (E_RNA)
where:
Base-Base interactions energy: -160.105
where: short stacking energy: -68.656
Base-Backbone interact. energy: -0.291
local terms energy: -138.193667
where:
bonds (distance) C4'-P energy: -29.231
bonds (distance) P-C4' energy: -39.478
flat angles C4'-P-C4' energy: -33.091
flat angles P-C4'-P energy: -21.907
tors. eta vs tors. theta energy: -14.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -258.872674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.872674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.872674 (E_RNA)
where:
Base-Base interactions energy: -129.155
where: short stacking energy: -64.801
Base-Backbone interact. energy: -0.388
local terms energy: -129.330034
where:
bonds (distance) C4'-P energy: -31.954
bonds (distance) P-C4' energy: -39.158
flat angles C4'-P-C4' energy: -27.213
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -13.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -209.242906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.242906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.242906 (E_RNA)
where:
Base-Base interactions energy: -91.148
where: short stacking energy: -56.459
Base-Backbone interact. energy: -0.534
local terms energy: -117.561217
where:
bonds (distance) C4'-P energy: -36.786
bonds (distance) P-C4' energy: -29.130
flat angles C4'-P-C4' energy: -28.531
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -4.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -276.590235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.590235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.590235 (E_RNA)
where:
Base-Base interactions energy: -145.320
where: short stacking energy: -70.643
Base-Backbone interact. energy: 1.248
local terms energy: -132.519151
where:
bonds (distance) C4'-P energy: -38.480
bonds (distance) P-C4' energy: -34.869
flat angles C4'-P-C4' energy: -29.271
flat angles P-C4'-P energy: -20.010
tors. eta vs tors. theta energy: -9.889
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: 7
Temperature: 1.250000
Total energy: -234.298355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.298355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.298355 (E_RNA)
where:
Base-Base interactions energy: -119.155
where: short stacking energy: -63.611
Base-Backbone interact. energy: -0.964
local terms energy: -114.179389
where:
bonds (distance) C4'-P energy: -27.509
bonds (distance) P-C4' energy: -36.112
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -11.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -153.407109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.407109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.407109 (E_RNA)
where:
Base-Base interactions energy: -46.735
where: short stacking energy: -35.114
Base-Backbone interact. energy: 1.906
local terms energy: -108.577916
where:
bonds (distance) C4'-P energy: -36.463
bonds (distance) P-C4' energy: -37.399
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: 1.253
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: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -147.521286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.521286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.521286 (E_RNA)
where:
Base-Base interactions energy: -52.896
where: short stacking energy: -47.840
Base-Backbone interact. energy: 0.487
local terms energy: -95.112136
where:
bonds (distance) C4'-P energy: -28.787
bonds (distance) P-C4' energy: -29.984
flat angles C4'-P-C4' energy: -28.808
flat angles P-C4'-P energy: -5.529
tors. eta vs tors. theta energy: -2.005
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: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -453.842214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.842214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.842214 (E_RNA)
where:
Base-Base interactions energy: -299.613
where: short stacking energy: -144.671
Base-Backbone interact. energy: -0.286
local terms energy: -153.943147
where:
bonds (distance) C4'-P energy: -36.504
bonds (distance) P-C4' energy: -27.700
flat angles C4'-P-C4' energy: -29.643
flat angles P-C4'-P energy: -25.835
tors. eta vs tors. theta energy: -34.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -431.700645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.700645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.700645 (E_RNA)
where:
Base-Base interactions energy: -277.762
where: short stacking energy: -110.440
Base-Backbone interact. energy: -0.321
local terms energy: -153.617569
where:
bonds (distance) C4'-P energy: -35.220
bonds (distance) P-C4' energy: -34.832
flat angles C4'-P-C4' energy: -35.012
flat angles P-C4'-P energy: -21.393
tors. eta vs tors. theta energy: -27.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -399.054166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.054166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.054166 (E_RNA)
where:
Base-Base interactions energy: -259.556
where: short stacking energy: -112.266
Base-Backbone interact. energy: -0.050
local terms energy: -139.448769
where:
bonds (distance) C4'-P energy: -30.876
bonds (distance) P-C4' energy: -35.534
flat angles C4'-P-C4' energy: -31.321
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -30.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -275.669980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.669980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.669980 (E_RNA)
where:
Base-Base interactions energy: -135.253
where: short stacking energy: -81.415
Base-Backbone interact. energy: -0.799
local terms energy: -139.618282
where:
bonds (distance) C4'-P energy: -37.779
bonds (distance) P-C4' energy: -39.713
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -317.746402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.746402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.746402 (E_RNA)
where:
Base-Base interactions energy: -181.828
where: short stacking energy: -82.384
Base-Backbone interact. energy: -0.163
local terms energy: -135.755260
where:
bonds (distance) C4'-P energy: -30.463
bonds (distance) P-C4' energy: -32.361
flat angles C4'-P-C4' energy: -34.095
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -197.200997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.200997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.200997 (E_RNA)
where:
Base-Base interactions energy: -69.148
where: short stacking energy: -69.024
Base-Backbone interact. energy: -2.693
local terms energy: -125.359506
where:
bonds (distance) C4'-P energy: -29.036
bonds (distance) P-C4' energy: -36.650
flat angles C4'-P-C4' energy: -35.481
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -268.716509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.716509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.716509 (E_RNA)
where:
Base-Base interactions energy: -147.852
where: short stacking energy: -74.461
Base-Backbone interact. energy: 0.982
local terms energy: -121.846109
where:
bonds (distance) C4'-P energy: -32.410
bonds (distance) P-C4' energy: -27.444
flat angles C4'-P-C4' energy: -25.030
flat angles P-C4'-P energy: -24.571
tors. eta vs tors. theta energy: -12.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -175.285229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.285229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.285229 (E_RNA)
where:
Base-Base interactions energy: -68.790
where: short stacking energy: -49.231
Base-Backbone interact. energy: -1.601
local terms energy: -104.893749
where:
bonds (distance) C4'-P energy: -33.999
bonds (distance) P-C4' energy: -30.724
flat angles C4'-P-C4' energy: -28.579
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -157.230182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.230182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.230182 (E_RNA)
where:
Base-Base interactions energy: -60.920
where: short stacking energy: -54.436
Base-Backbone interact. energy: -0.457
local terms energy: -95.853303
where:
bonds (distance) C4'-P energy: -30.618
bonds (distance) P-C4' energy: -28.156
flat angles C4'-P-C4' energy: -26.800
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: 2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -139.518215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.518215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.518215 (E_RNA)
where:
Base-Base interactions energy: -33.134
where: short stacking energy: -28.053
Base-Backbone interact. energy: -0.711
local terms energy: -105.672913
where:
bonds (distance) C4'-P energy: -33.259
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -22.814
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -481.333927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.333927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.333927 (E_RNA)
where:
Base-Base interactions energy: -315.716
where: short stacking energy: -123.608
Base-Backbone interact. energy: -0.775
local terms energy: -164.842119
where:
bonds (distance) C4'-P energy: -33.740
bonds (distance) P-C4' energy: -37.444
flat angles C4'-P-C4' energy: -41.296
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -35.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -428.628160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.628160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.628160 (E_RNA)
where:
Base-Base interactions energy: -264.542
where: short stacking energy: -132.051
Base-Backbone interact. energy: -0.350
local terms energy: -163.736986
where:
bonds (distance) C4'-P energy: -31.569
bonds (distance) P-C4' energy: -36.734
flat angles C4'-P-C4' energy: -35.114
flat angles P-C4'-P energy: -24.969
tors. eta vs tors. theta energy: -35.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -402.603256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.603256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.603256 (E_RNA)
where:
Base-Base interactions energy: -242.856
where: short stacking energy: -117.882
Base-Backbone interact. energy: -0.692
local terms energy: -159.055271
where:
bonds (distance) C4'-P energy: -40.274
bonds (distance) P-C4' energy: -31.144
flat angles C4'-P-C4' energy: -34.950
flat angles P-C4'-P energy: -24.346
tors. eta vs tors. theta energy: -28.342
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: 9
Temperature: 1.050000
Total energy: -354.422660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.422660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.422660 (E_RNA)
where:
Base-Base interactions energy: -199.417
where: short stacking energy: -98.619
Base-Backbone interact. energy: -0.380
local terms energy: -154.626288
where:
bonds (distance) C4'-P energy: -34.232
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -35.332
flat angles P-C4'-P energy: -23.724
tors. eta vs tors. theta energy: -30.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -309.274470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.274470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.274470 (E_RNA)
where:
Base-Base interactions energy: -179.106
where: short stacking energy: -94.849
Base-Backbone interact. energy: 0.639
local terms energy: -130.807758
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -28.926
flat angles C4'-P-C4' energy: -35.402
flat angles P-C4'-P energy: -22.330
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -222.986423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.986423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.986423 (E_RNA)
where:
Base-Base interactions energy: -112.027
where: short stacking energy: -43.204
Base-Backbone interact. energy: -0.615
local terms energy: -110.344167
where:
bonds (distance) C4'-P energy: -29.294
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -32.914
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: 1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -185.853797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.853797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.853797 (E_RNA)
where:
Base-Base interactions energy: -79.525
where: short stacking energy: -58.271
Base-Backbone interact. energy: -0.439
local terms energy: -105.889962
where:
bonds (distance) C4'-P energy: -34.219
bonds (distance) P-C4' energy: -28.067
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: -2.965
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: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -174.702436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.702436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.702436 (E_RNA)
where:
Base-Base interactions energy: -63.166
where: short stacking energy: -46.441
Base-Backbone interact. energy: -1.600
local terms energy: -109.936327
where:
bonds (distance) C4'-P energy: -33.288
bonds (distance) P-C4' energy: -34.659
flat angles C4'-P-C4' energy: -25.454
flat angles P-C4'-P energy: -17.701
tors. eta vs tors. theta energy: 1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -169.617867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.617867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.617867 (E_RNA)
where:
Base-Base interactions energy: -59.902
where: short stacking energy: -41.243
Base-Backbone interact. energy: -1.629
local terms energy: -108.087254
where:
bonds (distance) C4'-P energy: -28.742
bonds (distance) P-C4' energy: -38.697
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: 0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -142.468160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.468160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.468160 (E_RNA)
where:
Base-Base interactions energy: -47.251
where: short stacking energy: -39.087
Base-Backbone interact. energy: -0.318
local terms energy: -94.899113
where:
bonds (distance) C4'-P energy: -27.064
bonds (distance) P-C4' energy: -26.059
flat angles C4'-P-C4' energy: -30.911
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: 0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -460.149298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.149298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.149298 (E_RNA)
where:
Base-Base interactions energy: -284.985
where: short stacking energy: -122.020
Base-Backbone interact. energy: -0.832
local terms energy: -174.331946
where:
bonds (distance) C4'-P energy: -41.013
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -37.800
flat angles P-C4'-P energy: -25.646
tors. eta vs tors. theta energy: -34.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -453.416952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.416952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.416952 (E_RNA)
where:
Base-Base interactions energy: -290.383
where: short stacking energy: -116.289
Base-Backbone interact. energy: -0.570
local terms energy: -162.463432
where:
bonds (distance) C4'-P energy: -37.454
bonds (distance) P-C4' energy: -31.260
flat angles C4'-P-C4' energy: -42.676
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -29.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -388.271432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.271432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.271432 (E_RNA)
where:
Base-Base interactions energy: -231.056
where: short stacking energy: -113.903
Base-Backbone interact. energy: -0.253
local terms energy: -156.961924
where:
bonds (distance) C4'-P energy: -31.364
bonds (distance) P-C4' energy: -40.990
flat angles C4'-P-C4' energy: -31.939
flat angles P-C4'-P energy: -24.454
tors. eta vs tors. theta energy: -28.214
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: 10
Temperature: 1.050000
Total energy: -380.774398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.774398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.774398 (E_RNA)
where:
Base-Base interactions energy: -223.606
where: short stacking energy: -123.623
Base-Backbone interact. energy: -0.704
local terms energy: -156.464692
where:
bonds (distance) C4'-P energy: -26.317
bonds (distance) P-C4' energy: -34.915
flat angles C4'-P-C4' energy: -34.286
flat angles P-C4'-P energy: -24.975
tors. eta vs tors. theta energy: -35.972
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: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -312.299616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.299616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.299616 (E_RNA)
where:
Base-Base interactions energy: -173.597
where: short stacking energy: -102.508
Base-Backbone interact. energy: 0.818
local terms energy: -139.521426
where:
bonds (distance) C4'-P energy: -29.992
bonds (distance) P-C4' energy: -35.180
flat angles C4'-P-C4' energy: -30.595
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -27.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -200.492453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.492453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.492453 (E_RNA)
where:
Base-Base interactions energy: -102.010
where: short stacking energy: -49.835
Base-Backbone interact. energy: 1.536
local terms energy: -100.018744
where:
bonds (distance) C4'-P energy: -33.639
bonds (distance) P-C4' energy: -28.616
flat angles C4'-P-C4' energy: -25.561
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: 5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -175.634771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.634771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.634771 (E_RNA)
where:
Base-Base interactions energy: -54.010
where: short stacking energy: -42.789
Base-Backbone interact. energy: 0.481
local terms energy: -122.105548
where:
bonds (distance) C4'-P energy: -32.742
bonds (distance) P-C4' energy: -37.855
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -7.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -182.856271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.856271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.856271 (E_RNA)
where:
Base-Base interactions energy: -59.343
where: short stacking energy: -59.247
Base-Backbone interact. energy: 0.284
local terms energy: -123.797786
where:
bonds (distance) C4'-P energy: -30.979
bonds (distance) P-C4' energy: -31.365
flat angles C4'-P-C4' energy: -32.380
flat angles P-C4'-P energy: -21.517
tors. eta vs tors. theta energy: -7.557
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: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -167.044586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.044586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.044586 (E_RNA)
where:
Base-Base interactions energy: -47.095
where: short stacking energy: -45.572
Base-Backbone interact. energy: -0.232
local terms energy: -119.717533
where:
bonds (distance) C4'-P energy: -33.722
bonds (distance) P-C4' energy: -34.800
flat angles C4'-P-C4' energy: -26.912
flat angles P-C4'-P energy: -20.142
tors. eta vs tors. theta energy: -4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -139.166771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.166771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.166771 (E_RNA)
where:
Base-Base interactions energy: -50.950
where: short stacking energy: -41.610
Base-Backbone interact. energy: -0.360
local terms energy: -87.856483
where:
bonds (distance) C4'-P energy: -25.953
bonds (distance) P-C4' energy: -30.241
flat angles C4'-P-C4' energy: -24.001
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: 3.403
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: 11
Temperature: 0.900000
Total energy: -470.619176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.619176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.619176 (E_RNA)
where:
Base-Base interactions energy: -307.485
where: short stacking energy: -128.172
Base-Backbone interact. energy: -0.709
local terms energy: -162.425254
where:
bonds (distance) C4'-P energy: -30.568
bonds (distance) P-C4' energy: -41.073
flat angles C4'-P-C4' energy: -33.131
flat angles P-C4'-P energy: -23.316
tors. eta vs tors. theta energy: -34.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -412.900995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.900995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.900995 (E_RNA)
where:
Base-Base interactions energy: -271.409
where: short stacking energy: -129.718
Base-Backbone interact. energy: -0.676
local terms energy: -140.816465
where:
bonds (distance) C4'-P energy: -24.841
bonds (distance) P-C4' energy: -32.737
flat angles C4'-P-C4' energy: -32.268
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -31.170
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: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -434.345954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.345954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.345954 (E_RNA)
where:
Base-Base interactions energy: -289.307
where: short stacking energy: -127.863
Base-Backbone interact. energy: -0.936
local terms energy: -144.102901
where:
bonds (distance) C4'-P energy: -30.662
bonds (distance) P-C4' energy: -34.585
flat angles C4'-P-C4' energy: -34.411
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -313.966561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.966561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.966561 (E_RNA)
where:
Base-Base interactions energy: -165.182
where: short stacking energy: -83.761
Base-Backbone interact. energy: -0.360
local terms energy: -148.424267
where:
bonds (distance) C4'-P energy: -38.781
bonds (distance) P-C4' energy: -35.848
flat angles C4'-P-C4' energy: -34.849
flat angles P-C4'-P energy: -25.680
tors. eta vs tors. theta energy: -13.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -358.569817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.569817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.569817 (E_RNA)
where:
Base-Base interactions energy: -223.032
where: short stacking energy: -103.412
Base-Backbone interact. energy: -1.367
local terms energy: -134.170613
where:
bonds (distance) C4'-P energy: -26.942
bonds (distance) P-C4' energy: -23.982
flat angles C4'-P-C4' energy: -28.759
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: -36.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -209.171618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.171618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.171618 (E_RNA)
where:
Base-Base interactions energy: -100.902
where: short stacking energy: -53.549
Base-Backbone interact. energy: -0.644
local terms energy: -107.625591
where:
bonds (distance) C4'-P energy: -35.874
bonds (distance) P-C4' energy: -29.866
flat angles C4'-P-C4' energy: -31.175
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: 1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -198.237872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.237872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.237872 (E_RNA)
where:
Base-Base interactions energy: -90.036
where: short stacking energy: -62.431
Base-Backbone interact. energy: -0.855
local terms energy: -107.346540
where:
bonds (distance) C4'-P energy: -27.510
bonds (distance) P-C4' energy: -34.957
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -6.884
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: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -186.872806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.872806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.872806 (E_RNA)
where:
Base-Base interactions energy: -79.069
where: short stacking energy: -64.700
Base-Backbone interact. energy: 0.806
local terms energy: -108.610063
where:
bonds (distance) C4'-P energy: -25.397
bonds (distance) P-C4' energy: -29.962
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -22.226
tors. eta vs tors. theta energy: -7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -148.797045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.797045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.797045 (E_RNA)
where:
Base-Base interactions energy: -49.718
where: short stacking energy: -32.932
Base-Backbone interact. energy: 3.906
local terms energy: -102.984879
where:
bonds (distance) C4'-P energy: -30.448
bonds (distance) P-C4' energy: -28.863
flat angles C4'-P-C4' energy: -28.971
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -4.382
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: 11
Temperature: 1.350000
Total energy: -136.314545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.314545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.314545 (E_RNA)
where:
Base-Base interactions energy: -52.161
where: short stacking energy: -30.681
Base-Backbone interact. energy: 1.358
local terms energy: -85.511695
where:
bonds (distance) C4'-P energy: -29.594
bonds (distance) P-C4' energy: -36.148
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: 15.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -468.570290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.570290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.570290 (E_RNA)
where:
Base-Base interactions energy: -303.634
where: short stacking energy: -121.841
Base-Backbone interact. energy: -1.452
local terms energy: -163.484280
where:
bonds (distance) C4'-P energy: -37.358
bonds (distance) P-C4' energy: -32.248
flat angles C4'-P-C4' energy: -34.804
flat angles P-C4'-P energy: -26.457
tors. eta vs tors. theta energy: -32.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -405.255629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.255629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.255629 (E_RNA)
where:
Base-Base interactions energy: -246.041
where: short stacking energy: -114.231
Base-Backbone interact. energy: -0.151
local terms energy: -159.063506
where:
bonds (distance) C4'-P energy: -37.774
bonds (distance) P-C4' energy: -37.325
flat angles C4'-P-C4' energy: -34.804
flat angles P-C4'-P energy: -25.443
tors. eta vs tors. theta energy: -23.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -433.573067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.573067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.573067 (E_RNA)
where:
Base-Base interactions energy: -277.079
where: short stacking energy: -123.811
Base-Backbone interact. energy: -0.977
local terms energy: -155.517276
where:
bonds (distance) C4'-P energy: -34.005
bonds (distance) P-C4' energy: -37.927
flat angles C4'-P-C4' energy: -32.898
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -37.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -333.922938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.922938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.922938 (E_RNA)
where:
Base-Base interactions energy: -195.849
where: short stacking energy: -92.354
Base-Backbone interact. energy: -0.129
local terms energy: -137.944225
where:
bonds (distance) C4'-P energy: -23.247
bonds (distance) P-C4' energy: -32.878
flat angles C4'-P-C4' energy: -37.539
flat angles P-C4'-P energy: -21.996
tors. eta vs tors. theta energy: -22.284
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: 5, replica: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -329.288932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.288932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.288932 (E_RNA)
where:
Base-Base interactions energy: -192.266
where: short stacking energy: -87.823
Base-Backbone interact. energy: -0.690
local terms energy: -136.332316
where:
bonds (distance) C4'-P energy: -32.737
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -37.056
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -243.783372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.783372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.783372 (E_RNA)
where:
Base-Base interactions energy: -112.725
where: short stacking energy: -77.615
Base-Backbone interact. energy: -1.069
local terms energy: -129.988617
where:
bonds (distance) C4'-P energy: -37.259
bonds (distance) P-C4' energy: -32.375
flat angles C4'-P-C4' energy: -27.890
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -16.505
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: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -176.477592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.477592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.477592 (E_RNA)
where:
Base-Base interactions energy: -69.161
where: short stacking energy: -49.535
Base-Backbone interact. energy: -0.178
local terms energy: -107.138876
where:
bonds (distance) C4'-P energy: -32.039
bonds (distance) P-C4' energy: -27.658
flat angles C4'-P-C4' energy: -29.928
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -172.044918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.044918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.044918 (E_RNA)
where:
Base-Base interactions energy: -59.760
where: short stacking energy: -56.448
Base-Backbone interact. energy: -1.946
local terms energy: -110.338953
where:
bonds (distance) C4'-P energy: -36.497
bonds (distance) P-C4' energy: -29.646
flat angles C4'-P-C4' energy: -24.554
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -4.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -175.592145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.592145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.592145 (E_RNA)
where:
Base-Base interactions energy: -86.616
where: short stacking energy: -60.485
Base-Backbone interact. energy: -1.792
local terms energy: -87.183906
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -24.857
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -1.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -146.485428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.485428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.485428 (E_RNA)
where:
Base-Base interactions energy: -46.292
where: short stacking energy: -29.250
Base-Backbone interact. energy: -0.715
local terms energy: -99.478324
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -25.650
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: 2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -478.631001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.631001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.631001 (E_RNA)
where:
Base-Base interactions energy: -302.599
where: short stacking energy: -132.680
Base-Backbone interact. energy: -1.654
local terms energy: -174.377751
where:
bonds (distance) C4'-P energy: -32.961
bonds (distance) P-C4' energy: -37.801
flat angles C4'-P-C4' energy: -38.746
flat angles P-C4'-P energy: -30.463
tors. eta vs tors. theta energy: -34.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -427.925520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.925520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.925520 (E_RNA)
where:
Base-Base interactions energy: -263.553
where: short stacking energy: -131.625
Base-Backbone interact. energy: -0.211
local terms energy: -164.161411
where:
bonds (distance) C4'-P energy: -34.079
bonds (distance) P-C4' energy: -39.654
flat angles C4'-P-C4' energy: -36.429
flat angles P-C4'-P energy: -24.969
tors. eta vs tors. theta energy: -29.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -408.213031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.213031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.213031 (E_RNA)
where:
Base-Base interactions energy: -255.562
where: short stacking energy: -114.132
Base-Backbone interact. energy: -0.014
local terms energy: -152.637634
where:
bonds (distance) C4'-P energy: -34.116
bonds (distance) P-C4' energy: -34.082
flat angles C4'-P-C4' energy: -35.864
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -25.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -403.277330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.277330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.277330 (E_RNA)
where:
Base-Base interactions energy: -246.526
where: short stacking energy: -99.108
Base-Backbone interact. energy: -0.035
local terms energy: -156.716504
where:
bonds (distance) C4'-P energy: -28.861
bonds (distance) P-C4' energy: -33.994
flat angles C4'-P-C4' energy: -39.517
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -31.181
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: 8
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -326.714152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.714152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.714152 (E_RNA)
where:
Base-Base interactions energy: -188.712
where: short stacking energy: -77.660
Base-Backbone interact. energy: -1.468
local terms energy: -136.533671
where:
bonds (distance) C4'-P energy: -31.712
bonds (distance) P-C4' energy: -32.722
flat angles C4'-P-C4' energy: -33.447
flat angles P-C4'-P energy: -21.279
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -207.014420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.014420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.014420 (E_RNA)
where:
Base-Base interactions energy: -103.600
where: short stacking energy: -66.784
Base-Backbone interact. energy: 1.560
local terms energy: -104.974368
where:
bonds (distance) C4'-P energy: -26.344
bonds (distance) P-C4' energy: -32.271
flat angles C4'-P-C4' energy: -31.362
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -6.715
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: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -221.213853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.213853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.213853 (E_RNA)
where:
Base-Base interactions energy: -109.553
where: short stacking energy: -79.429
Base-Backbone interact. energy: -0.481
local terms energy: -111.179347
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -33.298
flat angles C4'-P-C4' energy: -26.064
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -231.015377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.015377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.015377 (E_RNA)
where:
Base-Base interactions energy: -114.109
where: short stacking energy: -68.834
Base-Backbone interact. energy: -0.416
local terms energy: -116.490830
where:
bonds (distance) C4'-P energy: -24.208
bonds (distance) P-C4' energy: -28.249
flat angles C4'-P-C4' energy: -32.707
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -12.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -162.348785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.348785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.348785 (E_RNA)
where:
Base-Base interactions energy: -45.609
where: short stacking energy: -37.136
Base-Backbone interact. energy: -1.929
local terms energy: -114.810632
where:
bonds (distance) C4'-P energy: -31.449
bonds (distance) P-C4' energy: -32.048
flat angles C4'-P-C4' energy: -27.334
flat angles P-C4'-P energy: -22.762
tors. eta vs tors. theta energy: -1.217
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: 13
Temperature: 1.350000
Total energy: -163.811326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.811326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.811326 (E_RNA)
where:
Base-Base interactions energy: -66.298
where: short stacking energy: -43.880
Base-Backbone interact. energy: -0.936
local terms energy: -96.576956
where:
bonds (distance) C4'-P energy: -30.700
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -28.750
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -9.644
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: 1, replica: 7
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -490.662907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.662907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.662907 (E_RNA)
where:
Base-Base interactions energy: -312.133
where: short stacking energy: -142.588
Base-Backbone interact. energy: -2.090
local terms energy: -176.439876
where:
bonds (distance) C4'-P energy: -34.304
bonds (distance) P-C4' energy: -31.103
flat angles C4'-P-C4' energy: -36.057
flat angles P-C4'-P energy: -31.695
tors. eta vs tors. theta energy: -43.281
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: 14
Temperature: 0.950000
Total energy: -456.000515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.000515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.000515 (E_RNA)
where:
Base-Base interactions energy: -275.322
where: short stacking energy: -133.041
Base-Backbone interact. energy: 1.156
local terms energy: -181.833899
where:
bonds (distance) C4'-P energy: -37.706
bonds (distance) P-C4' energy: -38.003
flat angles C4'-P-C4' energy: -32.930
flat angles P-C4'-P energy: -24.797
tors. eta vs tors. theta energy: -48.398
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: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -420.673662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.673662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.673662 (E_RNA)
where:
Base-Base interactions energy: -267.563
where: short stacking energy: -120.745
Base-Backbone interact. energy: -0.347
local terms energy: -152.763716
where:
bonds (distance) C4'-P energy: -33.374
bonds (distance) P-C4' energy: -30.615
flat angles C4'-P-C4' energy: -37.635
flat angles P-C4'-P energy: -19.036
tors. eta vs tors. theta energy: -32.104
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: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -411.420648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.420648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.420648 (E_RNA)
where:
Base-Base interactions energy: -271.201
where: short stacking energy: -113.513
Base-Backbone interact. energy: -1.168
local terms energy: -139.051841
where:
bonds (distance) C4'-P energy: -36.597
bonds (distance) P-C4' energy: -26.993
flat angles C4'-P-C4' energy: -35.677
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -23.641
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: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -312.246424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.246424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.246424 (E_RNA)
where:
Base-Base interactions energy: -172.767
where: short stacking energy: -84.958
Base-Backbone interact. energy: -0.293
local terms energy: -139.187229
where:
bonds (distance) C4'-P energy: -32.782
bonds (distance) P-C4' energy: -34.556
flat angles C4'-P-C4' energy: -30.916
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -23.505
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: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -218.561198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.561198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.561198 (E_RNA)
where:
Base-Base interactions energy: -99.622
where: short stacking energy: -79.205
Base-Backbone interact. energy: 0.798
local terms energy: -119.737217
where:
bonds (distance) C4'-P energy: -26.329
bonds (distance) P-C4' energy: -33.581
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -23.812
tors. eta vs tors. theta energy: -11.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -260.303101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.303101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.303101 (E_RNA)
where:
Base-Base interactions energy: -133.087
where: short stacking energy: -58.442
Base-Backbone interact. energy: -0.681
local terms energy: -126.535092
where:
bonds (distance) C4'-P energy: -34.470
bonds (distance) P-C4' energy: -29.527
flat angles C4'-P-C4' energy: -32.674
flat angles P-C4'-P energy: -20.630
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: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -185.814293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.814293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.814293 (E_RNA)
where:
Base-Base interactions energy: -90.595
where: short stacking energy: -45.970
Base-Backbone interact. energy: 2.540
local terms energy: -97.759040
where:
bonds (distance) C4'-P energy: -25.850
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -35.883
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: 2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -167.129117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.129117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.129117 (E_RNA)
where:
Base-Base interactions energy: -85.667
where: short stacking energy: -46.430
Base-Backbone interact. energy: -0.813
local terms energy: -80.649438
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -34.024
flat angles C4'-P-C4' energy: -22.100
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: 2.719
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: 5
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -141.149998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.149998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.149998 (E_RNA)
where:
Base-Base interactions energy: -27.715
where: short stacking energy: -25.572
Base-Backbone interact. energy: -0.784
local terms energy: -112.651473
where:
bonds (distance) C4'-P energy: -25.948
bonds (distance) P-C4' energy: -36.421
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -28.060
tors. eta vs tors. theta energy: -0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -479.954423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.954423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.954423 (E_RNA)
where:
Base-Base interactions energy: -310.351
where: short stacking energy: -134.247
Base-Backbone interact. energy: -1.370
local terms energy: -168.233980
where:
bonds (distance) C4'-P energy: -32.496
bonds (distance) P-C4' energy: -36.919
flat angles C4'-P-C4' energy: -32.409
flat angles P-C4'-P energy: -22.746
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: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -459.531681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.531681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.531681 (E_RNA)
where:
Base-Base interactions energy: -281.381
where: short stacking energy: -135.116
Base-Backbone interact. energy: 0.148
local terms energy: -178.297820
where:
bonds (distance) C4'-P energy: -30.616
bonds (distance) P-C4' energy: -34.731
flat angles C4'-P-C4' energy: -42.600
flat angles P-C4'-P energy: -25.798
tors. eta vs tors. theta energy: -44.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -431.187819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.187819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.187819 (E_RNA)
where:
Base-Base interactions energy: -279.128
where: short stacking energy: -110.724
Base-Backbone interact. energy: -1.385
local terms energy: -150.675265
where:
bonds (distance) C4'-P energy: -28.551
bonds (distance) P-C4' energy: -37.137
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -24.519
tors. eta vs tors. theta energy: -35.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -398.773549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.773549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.773549 (E_RNA)
where:
Base-Base interactions energy: -255.671
where: short stacking energy: -101.709
Base-Backbone interact. energy: -0.525
local terms energy: -142.577427
where:
bonds (distance) C4'-P energy: -33.076
bonds (distance) P-C4' energy: -29.793
flat angles C4'-P-C4' energy: -33.292
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -27.729
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: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -351.710917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.710917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.710917 (E_RNA)
where:
Base-Base interactions energy: -208.186
where: short stacking energy: -98.672
Base-Backbone interact. energy: -0.703
local terms energy: -142.821662
where:
bonds (distance) C4'-P energy: -33.149
bonds (distance) P-C4' energy: -36.613
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -16.501
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: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -290.331827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.331827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.331827 (E_RNA)
where:
Base-Base interactions energy: -156.762
where: short stacking energy: -74.776
Base-Backbone interact. energy: -1.029
local terms energy: -132.541175
where:
bonds (distance) C4'-P energy: -29.667
bonds (distance) P-C4' energy: -33.345
flat angles C4'-P-C4' energy: -31.635
flat angles P-C4'-P energy: -23.573
tors. eta vs tors. theta energy: -14.320
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: 7, replica: 2
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -182.199356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.199356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.199356 (E_RNA)
where:
Base-Base interactions energy: -82.067
where: short stacking energy: -53.414
Base-Backbone interact. energy: 1.021
local terms energy: -101.153431
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -27.432
flat angles P-C4'-P energy: -20.555
tors. eta vs tors. theta energy: 0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -234.878214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.878214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.878214 (E_RNA)
where:
Base-Base interactions energy: -115.094
where: short stacking energy: -55.856
Base-Backbone interact. energy: -0.529
local terms energy: -119.255782
where:
bonds (distance) C4'-P energy: -25.089
bonds (distance) P-C4' energy: -31.752
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -9.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -177.075343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.075343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.075343 (E_RNA)
where:
Base-Base interactions energy: -59.992
where: short stacking energy: -44.336
Base-Backbone interact. energy: 1.601
local terms energy: -118.684948
where:
bonds (distance) C4'-P energy: -36.901
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -30.675
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -2.887
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: 10, replica: 5
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -157.413320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.413320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.413320 (E_RNA)
where:
Base-Base interactions energy: -60.756
where: short stacking energy: -40.086
Base-Backbone interact. energy: 0.105
local terms energy: -96.761701
where:
bonds (distance) C4'-P energy: -30.104
bonds (distance) P-C4' energy: -29.402
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -17.127
tors. eta vs tors. theta energy: 1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -492.296976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.296976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.296976 (E_RNA)
where:
Base-Base interactions energy: -316.011
where: short stacking energy: -155.429
Base-Backbone interact. energy: 0.189
local terms energy: -176.474914
where:
bonds (distance) C4'-P energy: -33.451
bonds (distance) P-C4' energy: -33.545
flat angles C4'-P-C4' energy: -41.498
flat angles P-C4'-P energy: -24.682
tors. eta vs tors. theta energy: -43.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -479.678126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.678126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.678126 (E_RNA)
where:
Base-Base interactions energy: -312.544
where: short stacking energy: -151.407
Base-Backbone interact. energy: 1.198
local terms energy: -168.332109
where:
bonds (distance) C4'-P energy: -32.234
bonds (distance) P-C4' energy: -26.309
flat angles C4'-P-C4' energy: -35.440
flat angles P-C4'-P energy: -24.914
tors. eta vs tors. theta energy: -49.435
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: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -439.341390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.341390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.341390 (E_RNA)
where:
Base-Base interactions energy: -273.216
where: short stacking energy: -130.272
Base-Backbone interact. energy: -0.747
local terms energy: -165.378497
where:
bonds (distance) C4'-P energy: -32.088
bonds (distance) P-C4' energy: -37.685
flat angles C4'-P-C4' energy: -34.648
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -39.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -355.518908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.518908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.518908 (E_RNA)
where:
Base-Base interactions energy: -213.311
where: short stacking energy: -102.855
Base-Backbone interact. energy: -0.374
local terms energy: -141.833730
where:
bonds (distance) C4'-P energy: -36.741
bonds (distance) P-C4' energy: -33.371
flat angles C4'-P-C4' energy: -40.989
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -17.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -394.014233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.014233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.014233 (E_RNA)
where:
Base-Base interactions energy: -234.921
where: short stacking energy: -108.153
Base-Backbone interact. energy: -1.086
local terms energy: -158.007286
where:
bonds (distance) C4'-P energy: -33.719
bonds (distance) P-C4' energy: -33.775
flat angles C4'-P-C4' energy: -39.373
flat angles P-C4'-P energy: -21.299
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: 6, replica: 10
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -275.154538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.154538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.154538 (E_RNA)
where:
Base-Base interactions energy: -151.408
where: short stacking energy: -78.231
Base-Backbone interact. energy: 1.215
local terms energy: -124.962043
where:
bonds (distance) C4'-P energy: -27.334
bonds (distance) P-C4' energy: -35.346
flat angles C4'-P-C4' energy: -26.388
flat angles P-C4'-P energy: -23.402
tors. eta vs tors. theta energy: -12.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -190.513042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.513042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.513042 (E_RNA)
where:
Base-Base interactions energy: -66.513
where: short stacking energy: -39.174
Base-Backbone interact. energy: 1.147
local terms energy: -125.146984
where:
bonds (distance) C4'-P energy: -29.621
bonds (distance) P-C4' energy: -30.512
flat angles C4'-P-C4' energy: -33.760
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -8.378
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: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -174.160291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.160291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.160291 (E_RNA)
where:
Base-Base interactions energy: -65.800
where: short stacking energy: -51.581
Base-Backbone interact. energy: 0.178
local terms energy: -108.538422
where:
bonds (distance) C4'-P energy: -33.108
bonds (distance) P-C4' energy: -31.113
flat angles C4'-P-C4' energy: -24.080
flat angles P-C4'-P energy: -19.197
tors. eta vs tors. theta energy: -1.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -155.621214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.621214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.621214 (E_RNA)
where:
Base-Base interactions energy: -55.202
where: short stacking energy: -41.602
Base-Backbone interact. energy: 0.343
local terms energy: -100.762000
where:
bonds (distance) C4'-P energy: -28.691
bonds (distance) P-C4' energy: -32.426
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: 1.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -167.657930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.657930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.657930 (E_RNA)
where:
Base-Base interactions energy: -69.512
where: short stacking energy: -39.846
Base-Backbone interact. energy: 0.497
local terms energy: -98.642409
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -32.223
flat angles C4'-P-C4' energy: -25.562
flat angles P-C4'-P energy: -19.296
tors. eta vs tors. theta energy: 5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -469.915813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.915813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.915813 (E_RNA)
where:
Base-Base interactions energy: -300.405
where: short stacking energy: -136.546
Base-Backbone interact. energy: -0.620
local terms energy: -168.890308
where:
bonds (distance) C4'-P energy: -34.111
bonds (distance) P-C4' energy: -32.037
flat angles C4'-P-C4' energy: -34.322
flat angles P-C4'-P energy: -31.577
tors. eta vs tors. theta energy: -36.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -497.627365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.627365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.627365 (E_RNA)
where:
Base-Base interactions energy: -327.497
where: short stacking energy: -144.014
Base-Backbone interact. energy: -0.177
local terms energy: -169.952821
where:
bonds (distance) C4'-P energy: -31.356
bonds (distance) P-C4' energy: -37.814
flat angles C4'-P-C4' energy: -34.219
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: -46.257
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: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -452.420806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.420806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.420806 (E_RNA)
where:
Base-Base interactions energy: -280.668
where: short stacking energy: -138.348
Base-Backbone interact. energy: 0.741
local terms energy: -172.494264
where:
bonds (distance) C4'-P energy: -31.780
bonds (distance) P-C4' energy: -35.318
flat angles C4'-P-C4' energy: -37.804
flat angles P-C4'-P energy: -22.753
tors. eta vs tors. theta energy: -44.838
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: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -405.299590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.299590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.299590 (E_RNA)
where:
Base-Base interactions energy: -259.526
where: short stacking energy: -129.162
Base-Backbone interact. energy: -0.188
local terms energy: -145.585541
where:
bonds (distance) C4'-P energy: -34.030
bonds (distance) P-C4' energy: -30.994
flat angles C4'-P-C4' energy: -34.574
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -33.031
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: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -329.405671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.405671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.405671 (E_RNA)
where:
Base-Base interactions energy: -197.776
where: short stacking energy: -101.307
Base-Backbone interact. energy: -0.071
local terms energy: -131.558313
where:
bonds (distance) C4'-P energy: -29.912
bonds (distance) P-C4' energy: -33.376
flat angles C4'-P-C4' energy: -32.599
flat angles P-C4'-P energy: -17.934
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -221.858591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.858591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.858591 (E_RNA)
where:
Base-Base interactions energy: -88.676
where: short stacking energy: -66.312
Base-Backbone interact. energy: -0.450
local terms energy: -132.732825
where:
bonds (distance) C4'-P energy: -28.758
bonds (distance) P-C4' energy: -38.702
flat angles C4'-P-C4' energy: -26.899
flat angles P-C4'-P energy: -24.537
tors. eta vs tors. theta energy: -13.836
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: 17
Temperature: 1.200000
Total energy: -264.529090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.529090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.529090 (E_RNA)
where:
Base-Base interactions energy: -141.535
where: short stacking energy: -69.185
Base-Backbone interact. energy: -0.697
local terms energy: -122.296903
where:
bonds (distance) C4'-P energy: -29.198
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -38.664
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -14.789
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: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -177.734591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.734591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.734591 (E_RNA)
where:
Base-Base interactions energy: -59.247
where: short stacking energy: -59.247
Base-Backbone interact. energy: -0.334
local terms energy: -118.153851
where:
bonds (distance) C4'-P energy: -32.848
bonds (distance) P-C4' energy: -31.241
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -12.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -189.955190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.955190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.955190 (E_RNA)
where:
Base-Base interactions energy: -81.251
where: short stacking energy: -36.786
Base-Backbone interact. energy: -0.722
local terms energy: -107.982204
where:
bonds (distance) C4'-P energy: -27.797
bonds (distance) P-C4' energy: -30.411
flat angles C4'-P-C4' energy: -31.328
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: 0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -192.899325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.899325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.899325 (E_RNA)
where:
Base-Base interactions energy: -104.789
where: short stacking energy: -36.384
Base-Backbone interact. energy: -0.128
local terms energy: -87.982021
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -29.934
flat angles C4'-P-C4' energy: -31.914
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: 5.595
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: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -511.174442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.174442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.174442 (E_RNA)
where:
Base-Base interactions energy: -321.731
where: short stacking energy: -160.149
Base-Backbone interact. energy: -0.176
local terms energy: -189.266775
where:
bonds (distance) C4'-P energy: -31.801
bonds (distance) P-C4' energy: -40.463
flat angles C4'-P-C4' energy: -40.813
flat angles P-C4'-P energy: -26.993
tors. eta vs tors. theta energy: -49.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -467.701532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.701532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.701532 (E_RNA)
where:
Base-Base interactions energy: -305.768
where: short stacking energy: -133.236
Base-Backbone interact. energy: 0.015
local terms energy: -161.947984
where:
bonds (distance) C4'-P energy: -30.929
bonds (distance) P-C4' energy: -28.206
flat angles C4'-P-C4' energy: -39.732
flat angles P-C4'-P energy: -24.377
tors. eta vs tors. theta energy: -38.705
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: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -438.067584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.067584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.067584 (E_RNA)
where:
Base-Base interactions energy: -279.962
where: short stacking energy: -128.074
Base-Backbone interact. energy: 1.040
local terms energy: -159.145691
where:
bonds (distance) C4'-P energy: -24.100
bonds (distance) P-C4' energy: -36.502
flat angles C4'-P-C4' energy: -34.750
flat angles P-C4'-P energy: -26.756
tors. eta vs tors. theta energy: -37.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -392.649199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.649199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.649199 (E_RNA)
where:
Base-Base interactions energy: -238.370
where: short stacking energy: -123.690
Base-Backbone interact. energy: -1.555
local terms energy: -152.724013
where:
bonds (distance) C4'-P energy: -32.937
bonds (distance) P-C4' energy: -36.157
flat angles C4'-P-C4' energy: -38.509
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -34.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -317.643729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.643729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.643729 (E_RNA)
where:
Base-Base interactions energy: -186.868
where: short stacking energy: -86.143
Base-Backbone interact. energy: 0.044
local terms energy: -130.819178
where:
bonds (distance) C4'-P energy: -33.928
bonds (distance) P-C4' energy: -35.032
flat angles C4'-P-C4' energy: -35.327
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -13.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -183.878202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.878202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.878202 (E_RNA)
where:
Base-Base interactions energy: -58.829
where: short stacking energy: -51.444
Base-Backbone interact. energy: -1.061
local terms energy: -123.988278
where:
bonds (distance) C4'-P energy: -29.316
bonds (distance) P-C4' energy: -31.044
flat angles C4'-P-C4' energy: -33.310
flat angles P-C4'-P energy: -24.857
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -193.503453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.503453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.503453 (E_RNA)
where:
Base-Base interactions energy: -93.643
where: short stacking energy: -56.234
Base-Backbone interact. energy: 1.398
local terms energy: -101.258881
where:
bonds (distance) C4'-P energy: -29.520
bonds (distance) P-C4' energy: -32.299
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: 0.054
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: 18
Temperature: 1.250000
Total energy: -233.047142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.047142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.047142 (E_RNA)
where:
Base-Base interactions energy: -122.695
where: short stacking energy: -65.130
Base-Backbone interact. energy: -0.174
local terms energy: -110.178607
where:
bonds (distance) C4'-P energy: -31.839
bonds (distance) P-C4' energy: -34.505
flat angles C4'-P-C4' energy: -24.935
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -220.495173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.495173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.495173 (E_RNA)
where:
Base-Base interactions energy: -93.752
where: short stacking energy: -49.158
Base-Backbone interact. energy: 4.046
local terms energy: -130.789388
where:
bonds (distance) C4'-P energy: -34.114
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -27.415
flat angles P-C4'-P energy: -29.612
tors. eta vs tors. theta energy: -17.067
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: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -225.351917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.351917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.351917 (E_RNA)
where:
Base-Base interactions energy: -110.017
where: short stacking energy: -52.589
Base-Backbone interact. energy: -1.129
local terms energy: -114.206381
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -32.892
flat angles C4'-P-C4' energy: -32.401
flat angles P-C4'-P energy: -23.960
tors. eta vs tors. theta energy: -7.604
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: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -519.245351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.245351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.245351 (E_RNA)
where:
Base-Base interactions energy: -348.083
where: short stacking energy: -162.431
Base-Backbone interact. energy: -0.533
local terms energy: -170.629417
where:
bonds (distance) C4'-P energy: -28.105
bonds (distance) P-C4' energy: -33.843
flat angles C4'-P-C4' energy: -33.366
flat angles P-C4'-P energy: -25.978
tors. eta vs tors. theta energy: -49.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -453.051276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.051276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.051276 (E_RNA)
where:
Base-Base interactions energy: -290.094
where: short stacking energy: -136.798
Base-Backbone interact. energy: -0.761
local terms energy: -162.196114
where:
bonds (distance) C4'-P energy: -32.744
bonds (distance) P-C4' energy: -34.414
flat angles C4'-P-C4' energy: -32.926
flat angles P-C4'-P energy: -24.844
tors. eta vs tors. theta energy: -37.268
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: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -461.946353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.946353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.946353 (E_RNA)
where:
Base-Base interactions energy: -304.284
where: short stacking energy: -136.831
Base-Backbone interact. energy: 0.530
local terms energy: -158.191749
where:
bonds (distance) C4'-P energy: -35.473
bonds (distance) P-C4' energy: -33.344
flat angles C4'-P-C4' energy: -31.440
flat angles P-C4'-P energy: -20.221
tors. eta vs tors. theta energy: -37.715
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: 8
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -398.853552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.853552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.853552 (E_RNA)
where:
Base-Base interactions energy: -240.631
where: short stacking energy: -128.113
Base-Backbone interact. energy: -0.419
local terms energy: -157.802797
where:
bonds (distance) C4'-P energy: -27.695
bonds (distance) P-C4' energy: -31.362
flat angles C4'-P-C4' energy: -37.942
flat angles P-C4'-P energy: -23.663
tors. eta vs tors. theta energy: -37.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -304.545915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.545915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.545915 (E_RNA)
where:
Base-Base interactions energy: -169.446
where: short stacking energy: -73.082
Base-Backbone interact. energy: 1.785
local terms energy: -136.885056
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -36.322
flat angles C4'-P-C4' energy: -27.491
flat angles P-C4'-P energy: -24.680
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -179.388084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.388084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.388084 (E_RNA)
where:
Base-Base interactions energy: -68.267
where: short stacking energy: -38.280
Base-Backbone interact. energy: 2.855
local terms energy: -113.976480
where:
bonds (distance) C4'-P energy: -31.441
bonds (distance) P-C4' energy: -31.171
flat angles C4'-P-C4' energy: -32.203
flat angles P-C4'-P energy: -18.917
tors. eta vs tors. theta energy: -0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -187.279616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.279616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.279616 (E_RNA)
where:
Base-Base interactions energy: -57.085
where: short stacking energy: -51.782
Base-Backbone interact. energy: 2.035
local terms energy: -132.229451
where:
bonds (distance) C4'-P energy: -25.365
bonds (distance) P-C4' energy: -33.596
flat angles C4'-P-C4' energy: -34.007
flat angles P-C4'-P energy: -25.955
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: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -169.398725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.398725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.398725 (E_RNA)
where:
Base-Base interactions energy: -51.841
where: short stacking energy: -38.970
Base-Backbone interact. energy: -0.446
local terms energy: -117.112234
where:
bonds (distance) C4'-P energy: -30.996
bonds (distance) P-C4' energy: -36.239
flat angles C4'-P-C4' energy: -29.975
flat angles P-C4'-P energy: -22.514
tors. eta vs tors. theta energy: 2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -160.209779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.209779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.209779 (E_RNA)
where:
Base-Base interactions energy: -57.239
where: short stacking energy: -36.593
Base-Backbone interact. energy: -0.054
local terms energy: -102.916292
where:
bonds (distance) C4'-P energy: -27.902
bonds (distance) P-C4' energy: -33.976
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -22.374
tors. eta vs tors. theta energy: 1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -157.837764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.837764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.837764 (E_RNA)
where:
Base-Base interactions energy: -66.041
where: short stacking energy: -43.623
Base-Backbone interact. energy: 1.290
local terms energy: -93.087239
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -32.364
flat angles C4'-P-C4' energy: -20.346
flat angles P-C4'-P energy: -18.828
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: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -538.529242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.529242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.529242 (E_RNA)
where:
Base-Base interactions energy: -345.104
where: short stacking energy: -162.805
Base-Backbone interact. energy: -0.671
local terms energy: -192.753948
where:
bonds (distance) C4'-P energy: -36.231
bonds (distance) P-C4' energy: -34.702
flat angles C4'-P-C4' energy: -38.525
flat angles P-C4'-P energy: -26.667
tors. eta vs tors. theta energy: -56.629
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: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -441.684429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.684429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.684429 (E_RNA)
where:
Base-Base interactions energy: -274.762
where: short stacking energy: -120.117
Base-Backbone interact. energy: -0.935
local terms energy: -165.988223
where:
bonds (distance) C4'-P energy: -38.371
bonds (distance) P-C4' energy: -32.467
flat angles C4'-P-C4' energy: -35.613
flat angles P-C4'-P energy: -23.343
tors. eta vs tors. theta energy: -36.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -417.717197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.717197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.717197 (E_RNA)
where:
Base-Base interactions energy: -250.518
where: short stacking energy: -124.578
Base-Backbone interact. energy: -0.723
local terms energy: -166.476051
where:
bonds (distance) C4'-P energy: -28.637
bonds (distance) P-C4' energy: -35.468
flat angles C4'-P-C4' energy: -38.478
flat angles P-C4'-P energy: -22.643
tors. eta vs tors. theta energy: -41.249
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: 7
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -419.191325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.191325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.191325 (E_RNA)
where:
Base-Base interactions energy: -259.806
where: short stacking energy: -120.331
Base-Backbone interact. energy: 1.002
local terms energy: -160.387378
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -35.249
flat angles C4'-P-C4' energy: -32.646
flat angles P-C4'-P energy: -27.065
tors. eta vs tors. theta energy: -36.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -327.560130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.560130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.560130 (E_RNA)
where:
Base-Base interactions energy: -199.891
where: short stacking energy: -91.460
Base-Backbone interact. energy: 2.186
local terms energy: -129.854681
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -27.679
flat angles C4'-P-C4' energy: -29.535
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: -24.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -197.622405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.622405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.622405 (E_RNA)
where:
Base-Base interactions energy: -78.251
where: short stacking energy: -50.028
Base-Backbone interact. energy: -0.991
local terms energy: -118.380447
where:
bonds (distance) C4'-P energy: -33.442
bonds (distance) P-C4' energy: -35.112
flat angles C4'-P-C4' energy: -27.031
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -7.309
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: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -223.647566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.647566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.647566 (E_RNA)
where:
Base-Base interactions energy: -92.925
where: short stacking energy: -58.190
Base-Backbone interact. energy: -0.521
local terms energy: -130.201837
where:
bonds (distance) C4'-P energy: -33.273
bonds (distance) P-C4' energy: -37.713
flat angles C4'-P-C4' energy: -26.912
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -166.401049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.401049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.401049 (E_RNA)
where:
Base-Base interactions energy: -48.346
where: short stacking energy: -38.982
Base-Backbone interact. energy: -0.414
local terms energy: -117.641541
where:
bonds (distance) C4'-P energy: -28.161
bonds (distance) P-C4' energy: -34.312
flat angles C4'-P-C4' energy: -32.731
flat angles P-C4'-P energy: -23.549
tors. eta vs tors. theta energy: 1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -159.143929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.143929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.143929 (E_RNA)
where:
Base-Base interactions energy: -52.104
where: short stacking energy: -47.768
Base-Backbone interact. energy: -1.002
local terms energy: -106.037939
where:
bonds (distance) C4'-P energy: -28.866
bonds (distance) P-C4' energy: -31.564
flat angles C4'-P-C4' energy: -29.928
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -140.557828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.557828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.557828 (E_RNA)
where:
Base-Base interactions energy: -49.310
where: short stacking energy: -40.487
Base-Backbone interact. energy: 0.367
local terms energy: -91.614148
where:
bonds (distance) C4'-P energy: -32.311
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -22.030
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: 9.115
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: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -527.803953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.803953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.803953 (E_RNA)
where:
Base-Base interactions energy: -343.470
where: short stacking energy: -178.246
Base-Backbone interact. energy: -2.171
local terms energy: -182.162937
where:
bonds (distance) C4'-P energy: -36.153
bonds (distance) P-C4' energy: -28.757
flat angles C4'-P-C4' energy: -38.091
flat angles P-C4'-P energy: -20.369
tors. eta vs tors. theta energy: -58.792
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: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -436.490642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.490642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.490642 (E_RNA)
where:
Base-Base interactions energy: -277.727
where: short stacking energy: -117.160
Base-Backbone interact. energy: -0.225
local terms energy: -158.537990
where:
bonds (distance) C4'-P energy: -36.261
bonds (distance) P-C4' energy: -33.507
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -23.521
tors. eta vs tors. theta energy: -32.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -407.534790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.534790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.534790 (E_RNA)
where:
Base-Base interactions energy: -254.438
where: short stacking energy: -123.900
Base-Backbone interact. energy: -1.576
local terms energy: -151.520845
where:
bonds (distance) C4'-P energy: -26.169
bonds (distance) P-C4' energy: -34.291
flat angles C4'-P-C4' energy: -33.522
flat angles P-C4'-P energy: -25.053
tors. eta vs tors. theta energy: -32.486
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: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -417.950127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.950127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.950127 (E_RNA)
where:
Base-Base interactions energy: -266.675
where: short stacking energy: -124.972
Base-Backbone interact. energy: 0.844
local terms energy: -152.119244
where:
bonds (distance) C4'-P energy: -31.601
bonds (distance) P-C4' energy: -29.337
flat angles C4'-P-C4' energy: -29.812
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: -39.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -320.603353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.603353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.603353 (E_RNA)
where:
Base-Base interactions energy: -193.069
where: short stacking energy: -92.847
Base-Backbone interact. energy: 1.339
local terms energy: -128.874097
where:
bonds (distance) C4'-P energy: -31.559
bonds (distance) P-C4' energy: -28.633
flat angles C4'-P-C4' energy: -34.621
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -18.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -175.213117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.213117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.213117 (E_RNA)
where:
Base-Base interactions energy: -46.920
where: short stacking energy: -40.605
Base-Backbone interact. energy: -0.757
local terms energy: -127.536411
where:
bonds (distance) C4'-P energy: -38.006
bonds (distance) P-C4' energy: -36.286
flat angles C4'-P-C4' energy: -26.378
flat angles P-C4'-P energy: -20.070
tors. eta vs tors. theta energy: -6.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -194.297125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.297125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.297125 (E_RNA)
where:
Base-Base interactions energy: -84.172
where: short stacking energy: -59.275
Base-Backbone interact. energy: -1.954
local terms energy: -108.171352
where:
bonds (distance) C4'-P energy: -25.873
bonds (distance) P-C4' energy: -34.718
flat angles C4'-P-C4' energy: -29.268
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -0.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -193.162578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.162578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.162578 (E_RNA)
where:
Base-Base interactions energy: -91.464
where: short stacking energy: -39.909
Base-Backbone interact. energy: 1.721
local terms energy: -103.419074
where:
bonds (distance) C4'-P energy: -24.697
bonds (distance) P-C4' energy: -33.640
flat angles C4'-P-C4' energy: -31.771
flat angles P-C4'-P energy: -9.297
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: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -151.920252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.920252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.920252 (E_RNA)
where:
Base-Base interactions energy: -45.938
where: short stacking energy: -36.087
Base-Backbone interact. energy: -0.349
local terms energy: -105.633393
where:
bonds (distance) C4'-P energy: -29.822
bonds (distance) P-C4' energy: -36.889
flat angles C4'-P-C4' energy: -31.040
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -134.281055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.281055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.281055 (E_RNA)
where:
Base-Base interactions energy: -31.538
where: short stacking energy: -31.538
Base-Backbone interact. energy: 1.969
local terms energy: -104.712249
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -34.376
flat angles C4'-P-C4' energy: -32.619
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -3.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -530.062858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.062858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.062858 (E_RNA)
where:
Base-Base interactions energy: -331.806
where: short stacking energy: -167.487
Base-Backbone interact. energy: -1.653
local terms energy: -196.604329
where:
bonds (distance) C4'-P energy: -38.561
bonds (distance) P-C4' energy: -38.117
flat angles C4'-P-C4' energy: -37.319
flat angles P-C4'-P energy: -29.273
tors. eta vs tors. theta energy: -53.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -472.512662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.512662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.512662 (E_RNA)
where:
Base-Base interactions energy: -298.059
where: short stacking energy: -140.578
Base-Backbone interact. energy: -0.635
local terms energy: -173.818659
where:
bonds (distance) C4'-P energy: -35.731
bonds (distance) P-C4' energy: -35.470
flat angles C4'-P-C4' energy: -42.930
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -38.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -431.622596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.622596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.622596 (E_RNA)
where:
Base-Base interactions energy: -262.158
where: short stacking energy: -124.078
Base-Backbone interact. energy: -0.579
local terms energy: -168.885028
where:
bonds (distance) C4'-P energy: -32.478
bonds (distance) P-C4' energy: -34.989
flat angles C4'-P-C4' energy: -39.015
flat angles P-C4'-P energy: -28.421
tors. eta vs tors. theta energy: -33.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -378.616407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.616407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.616407 (E_RNA)
where:
Base-Base interactions energy: -244.630
where: short stacking energy: -98.487
Base-Backbone interact. energy: 0.137
local terms energy: -134.122600
where:
bonds (distance) C4'-P energy: -33.921
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -26.451
flat angles P-C4'-P energy: -23.238
tors. eta vs tors. theta energy: -26.878
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: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -318.243814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.243814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.243814 (E_RNA)
where:
Base-Base interactions energy: -184.961
where: short stacking energy: -84.008
Base-Backbone interact. energy: -0.289
local terms energy: -132.994285
where:
bonds (distance) C4'-P energy: -35.574
bonds (distance) P-C4' energy: -21.670
flat angles C4'-P-C4' energy: -33.453
flat angles P-C4'-P energy: -22.309
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: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -207.740737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.740737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.740737 (E_RNA)
where:
Base-Base interactions energy: -87.440
where: short stacking energy: -64.150
Base-Backbone interact. energy: -0.054
local terms energy: -120.246655
where:
bonds (distance) C4'-P energy: -25.769
bonds (distance) P-C4' energy: -27.374
flat angles C4'-P-C4' energy: -30.882
flat angles P-C4'-P energy: -24.571
tors. eta vs tors. theta energy: -11.650
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: 22
Temperature: 1.200000
Total energy: -214.725981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.725981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.725981 (E_RNA)
where:
Base-Base interactions energy: -102.055
where: short stacking energy: -72.329
Base-Backbone interact. energy: 2.012
local terms energy: -114.683413
where:
bonds (distance) C4'-P energy: -23.778
bonds (distance) P-C4' energy: -31.293
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -17.740
tors. eta vs tors. theta energy: -14.962
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: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -163.699468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.699468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.699468 (E_RNA)
where:
Base-Base interactions energy: -61.002
where: short stacking energy: -61.102
Base-Backbone interact. energy: -0.057
local terms energy: -102.641063
where:
bonds (distance) C4'-P energy: -35.289
bonds (distance) P-C4' energy: -26.156
flat angles C4'-P-C4' energy: -30.379
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -1.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -164.630686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.630686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.630686 (E_RNA)
where:
Base-Base interactions energy: -57.686
where: short stacking energy: -30.936
Base-Backbone interact. energy: -0.483
local terms energy: -106.462228
where:
bonds (distance) C4'-P energy: -39.013
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -28.625
flat angles P-C4'-P energy: -21.206
tors. eta vs tors. theta energy: 9.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -145.367267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.367267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.367267 (E_RNA)
where:
Base-Base interactions energy: -45.652
where: short stacking energy: -42.497
Base-Backbone interact. energy: 1.480
local terms energy: -101.195088
where:
bonds (distance) C4'-P energy: -35.366
bonds (distance) P-C4' energy: -29.855
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: 2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -529.803445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.803445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.803445 (E_RNA)
where:
Base-Base interactions energy: -338.897
where: short stacking energy: -173.545
Base-Backbone interact. energy: -0.333
local terms energy: -190.573261
where:
bonds (distance) C4'-P energy: -38.252
bonds (distance) P-C4' energy: -33.314
flat angles C4'-P-C4' energy: -35.333
flat angles P-C4'-P energy: -27.572
tors. eta vs tors. theta energy: -56.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -463.653019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.653019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.653019 (E_RNA)
where:
Base-Base interactions energy: -301.304
where: short stacking energy: -139.728
Base-Backbone interact. energy: -0.215
local terms energy: -162.134505
where:
bonds (distance) C4'-P energy: -29.716
bonds (distance) P-C4' energy: -35.141
flat angles C4'-P-C4' energy: -41.722
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -35.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -421.139922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.139922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.139922 (E_RNA)
where:
Base-Base interactions energy: -250.981
where: short stacking energy: -114.688
Base-Backbone interact. energy: -0.319
local terms energy: -169.839649
where:
bonds (distance) C4'-P energy: -35.084
bonds (distance) P-C4' energy: -37.570
flat angles C4'-P-C4' energy: -36.521
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: -37.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -391.529795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.529795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.529795 (E_RNA)
where:
Base-Base interactions energy: -232.586
where: short stacking energy: -114.404
Base-Backbone interact. energy: 0.123
local terms energy: -159.066923
where:
bonds (distance) C4'-P energy: -32.744
bonds (distance) P-C4' energy: -30.090
flat angles C4'-P-C4' energy: -30.522
flat angles P-C4'-P energy: -24.785
tors. eta vs tors. theta energy: -40.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -317.614663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.614663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.614663 (E_RNA)
where:
Base-Base interactions energy: -194.889
where: short stacking energy: -104.109
Base-Backbone interact. energy: -0.830
local terms energy: -121.895009
where:
bonds (distance) C4'-P energy: -24.093
bonds (distance) P-C4' energy: -27.851
flat angles C4'-P-C4' energy: -34.133
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -20.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -237.902900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.902900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.902900 (E_RNA)
where:
Base-Base interactions energy: -112.522
where: short stacking energy: -68.959
Base-Backbone interact. energy: -0.820
local terms energy: -124.561120
where:
bonds (distance) C4'-P energy: -29.235
bonds (distance) P-C4' energy: -34.820
flat angles C4'-P-C4' energy: -31.912
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -177.174346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.174346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.174346 (E_RNA)
where:
Base-Base interactions energy: -64.947
where: short stacking energy: -60.394
Base-Backbone interact. energy: -0.312
local terms energy: -111.915993
where:
bonds (distance) C4'-P energy: -30.043
bonds (distance) P-C4' energy: -31.632
flat angles C4'-P-C4' energy: -25.647
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -12.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -155.262196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.262196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.262196 (E_RNA)
where:
Base-Base interactions energy: -56.612
where: short stacking energy: -21.901
Base-Backbone interact. energy: -0.308
local terms energy: -98.341932
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -30.175
flat angles C4'-P-C4' energy: -32.702
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: 13.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -156.218090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.218090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.218090 (E_RNA)
where:
Base-Base interactions energy: -57.897
where: short stacking energy: -51.942
Base-Backbone interact. energy: 0.643
local terms energy: -98.964105
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -40.364
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -3.439
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: 23
Temperature: 1.350000
Total energy: -146.765214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.765214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.765214 (E_RNA)
where:
Base-Base interactions energy: -43.700
where: short stacking energy: -36.600
Base-Backbone interact. energy: -0.811
local terms energy: -102.254219
where:
bonds (distance) C4'-P energy: -27.418
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -4.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -551.340577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.340577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.340577 (E_RNA)
where:
Base-Base interactions energy: -358.128
where: short stacking energy: -181.666
Base-Backbone interact. energy: -0.305
local terms energy: -192.907800
where:
bonds (distance) C4'-P energy: -32.229
bonds (distance) P-C4' energy: -38.179
flat angles C4'-P-C4' energy: -36.233
flat angles P-C4'-P energy: -28.044
tors. eta vs tors. theta energy: -58.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -467.965692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.965692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.965692 (E_RNA)
where:
Base-Base interactions energy: -304.579
where: short stacking energy: -129.499
Base-Backbone interact. energy: -0.979
local terms energy: -162.408445
where:
bonds (distance) C4'-P energy: -38.589
bonds (distance) P-C4' energy: -37.588
flat angles C4'-P-C4' energy: -29.323
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: -33.511
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: 8
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -430.389075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.389075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.389075 (E_RNA)
where:
Base-Base interactions energy: -264.018
where: short stacking energy: -141.434
Base-Backbone interact. energy: -0.290
local terms energy: -166.081066
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -33.486
flat angles C4'-P-C4' energy: -36.425
flat angles P-C4'-P energy: -25.705
tors. eta vs tors. theta energy: -43.288
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: 4, replica: 7
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -386.822916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.822916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.822916 (E_RNA)
where:
Base-Base interactions energy: -245.167
where: short stacking energy: -112.551
Base-Backbone interact. energy: 2.431
local terms energy: -144.086314
where:
bonds (distance) C4'-P energy: -29.544
bonds (distance) P-C4' energy: -35.129
flat angles C4'-P-C4' energy: -29.012
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -28.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -340.037731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.037731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.037731 (E_RNA)
where:
Base-Base interactions energy: -199.225
where: short stacking energy: -89.538
Base-Backbone interact. energy: 1.629
local terms energy: -142.441911
where:
bonds (distance) C4'-P energy: -26.978
bonds (distance) P-C4' energy: -33.878
flat angles C4'-P-C4' energy: -35.133
flat angles P-C4'-P energy: -21.316
tors. eta vs tors. theta energy: -25.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -251.537942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.537942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.537942 (E_RNA)
where:
Base-Base interactions energy: -123.999
where: short stacking energy: -87.405
Base-Backbone interact. energy: -0.235
local terms energy: -127.304648
where:
bonds (distance) C4'-P energy: -24.315
bonds (distance) P-C4' energy: -34.517
flat angles C4'-P-C4' energy: -30.447
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -18.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -174.515204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.515204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.515204 (E_RNA)
where:
Base-Base interactions energy: -69.248
where: short stacking energy: -56.755
Base-Backbone interact. energy: 1.645
local terms energy: -106.911513
where:
bonds (distance) C4'-P energy: -24.438
bonds (distance) P-C4' energy: -37.867
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -23.124
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -206.981918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.981918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.981918 (E_RNA)
where:
Base-Base interactions energy: -94.254
where: short stacking energy: -63.214
Base-Backbone interact. energy: -1.190
local terms energy: -111.538198
where:
bonds (distance) C4'-P energy: -26.665
bonds (distance) P-C4' energy: -33.590
flat angles C4'-P-C4' energy: -29.971
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -6.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -158.975636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.975636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.975636 (E_RNA)
where:
Base-Base interactions energy: -73.253
where: short stacking energy: -43.768
Base-Backbone interact. energy: 0.350
local terms energy: -86.072836
where:
bonds (distance) C4'-P energy: -28.533
bonds (distance) P-C4' energy: -33.410
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: 5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -140.003290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.003290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.003290 (E_RNA)
where:
Base-Base interactions energy: -46.295
where: short stacking energy: -27.220
Base-Backbone interact. energy: -1.969
local terms energy: -91.739050
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -33.096
flat angles C4'-P-C4' energy: -26.685
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: 6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -534.672754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.672754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.672754 (E_RNA)
where:
Base-Base interactions energy: -331.359
where: short stacking energy: -167.221
Base-Backbone interact. energy: -1.556
local terms energy: -201.757604
where:
bonds (distance) C4'-P energy: -35.384
bonds (distance) P-C4' energy: -40.291
flat angles C4'-P-C4' energy: -40.928
flat angles P-C4'-P energy: -28.862
tors. eta vs tors. theta energy: -56.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -467.239270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.239270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.239270 (E_RNA)
where:
Base-Base interactions energy: -315.852
where: short stacking energy: -135.905
Base-Backbone interact. energy: -0.227
local terms energy: -151.160767
where:
bonds (distance) C4'-P energy: -30.982
bonds (distance) P-C4' energy: -30.231
flat angles C4'-P-C4' energy: -37.578
flat angles P-C4'-P energy: -16.979
tors. eta vs tors. theta energy: -35.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -446.672351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.672351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.672351 (E_RNA)
where:
Base-Base interactions energy: -283.314
where: short stacking energy: -140.868
Base-Backbone interact. energy: -0.378
local terms energy: -162.979469
where:
bonds (distance) C4'-P energy: -29.069
bonds (distance) P-C4' energy: -33.865
flat angles C4'-P-C4' energy: -34.889
flat angles P-C4'-P energy: -26.024
tors. eta vs tors. theta energy: -39.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -402.465322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.465322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.465322 (E_RNA)
where:
Base-Base interactions energy: -261.384
where: short stacking energy: -108.158
Base-Backbone interact. energy: -0.168
local terms energy: -140.912875
where:
bonds (distance) C4'-P energy: -37.211
bonds (distance) P-C4' energy: -22.804
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -29.368
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: 25
Temperature: 1.100000
Total energy: -360.320818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.320818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.320818 (E_RNA)
where:
Base-Base interactions energy: -215.464
where: short stacking energy: -92.154
Base-Backbone interact. energy: -0.573
local terms energy: -144.283383
where:
bonds (distance) C4'-P energy: -25.870
bonds (distance) P-C4' energy: -30.916
flat angles C4'-P-C4' energy: -39.025
flat angles P-C4'-P energy: -24.678
tors. eta vs tors. theta energy: -23.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -248.077408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.077408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.077408 (E_RNA)
where:
Base-Base interactions energy: -126.079
where: short stacking energy: -77.365
Base-Backbone interact. energy: -0.709
local terms energy: -121.289353
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -32.806
flat angles C4'-P-C4' energy: -31.375
flat angles P-C4'-P energy: -20.982
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -176.019339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.019339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.019339 (E_RNA)
where:
Base-Base interactions energy: -76.333
where: short stacking energy: -56.163
Base-Backbone interact. energy: 0.188
local terms energy: -99.873847
where:
bonds (distance) C4'-P energy: -33.270
bonds (distance) P-C4' energy: -29.129
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -188.910754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.910754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.910754 (E_RNA)
where:
Base-Base interactions energy: -80.917
where: short stacking energy: -45.134
Base-Backbone interact. energy: 1.024
local terms energy: -109.018342
where:
bonds (distance) C4'-P energy: -38.213
bonds (distance) P-C4' energy: -34.014
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: 2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -155.788434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.788434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.788434 (E_RNA)
where:
Base-Base interactions energy: -53.231
where: short stacking energy: -53.231
Base-Backbone interact. energy: -0.207
local terms energy: -102.350644
where:
bonds (distance) C4'-P energy: -25.215
bonds (distance) P-C4' energy: -29.807
flat angles C4'-P-C4' energy: -30.365
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -144.480258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.480258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.480258 (E_RNA)
where:
Base-Base interactions energy: -44.121
where: short stacking energy: -41.006
Base-Backbone interact. energy: -2.052
local terms energy: -98.306421
where:
bonds (distance) C4'-P energy: -25.882
bonds (distance) P-C4' energy: -35.704
flat angles C4'-P-C4' energy: -27.072
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: 0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -512.789381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.789381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.789381 (E_RNA)
where:
Base-Base interactions energy: -331.677
where: short stacking energy: -150.539
Base-Backbone interact. energy: 0.594
local terms energy: -181.706376
where:
bonds (distance) C4'-P energy: -28.398
bonds (distance) P-C4' energy: -39.085
flat angles C4'-P-C4' energy: -37.805
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: -50.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -454.870090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.870090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.870090 (E_RNA)
where:
Base-Base interactions energy: -296.993
where: short stacking energy: -125.902
Base-Backbone interact. energy: -2.314
local terms energy: -155.563256
where:
bonds (distance) C4'-P energy: -29.126
bonds (distance) P-C4' energy: -31.112
flat angles C4'-P-C4' energy: -39.447
flat angles P-C4'-P energy: -22.044
tors. eta vs tors. theta energy: -33.835
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: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -391.846924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.846924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.846924 (E_RNA)
where:
Base-Base interactions energy: -253.812
where: short stacking energy: -94.545
Base-Backbone interact. energy: -0.345
local terms energy: -137.689916
where:
bonds (distance) C4'-P energy: -35.899
bonds (distance) P-C4' energy: -36.858
flat angles C4'-P-C4' energy: -32.307
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -414.038385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.038385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.038385 (E_RNA)
where:
Base-Base interactions energy: -250.933
where: short stacking energy: -124.596
Base-Backbone interact. energy: 0.452
local terms energy: -163.556880
where:
bonds (distance) C4'-P energy: -30.126
bonds (distance) P-C4' energy: -34.378
flat angles C4'-P-C4' energy: -35.192
flat angles P-C4'-P energy: -25.789
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: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -320.974994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.974994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.974994 (E_RNA)
where:
Base-Base interactions energy: -188.895
where: short stacking energy: -92.474
Base-Backbone interact. energy: 1.086
local terms energy: -133.165831
where:
bonds (distance) C4'-P energy: -33.843
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -34.802
flat angles P-C4'-P energy: -19.415
tors. eta vs tors. theta energy: -21.341
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: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -264.040439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.040439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.040439 (E_RNA)
where:
Base-Base interactions energy: -124.815
where: short stacking energy: -76.932
Base-Backbone interact. energy: -1.444
local terms energy: -137.782221
where:
bonds (distance) C4'-P energy: -29.661
bonds (distance) P-C4' energy: -34.332
flat angles C4'-P-C4' energy: -32.119
flat angles P-C4'-P energy: -24.808
tors. eta vs tors. theta energy: -16.862
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: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -216.691614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.691614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.691614 (E_RNA)
where:
Base-Base interactions energy: -99.524
where: short stacking energy: -48.138
Base-Backbone interact. energy: -0.064
local terms energy: -117.103997
where:
bonds (distance) C4'-P energy: -31.466
bonds (distance) P-C4' energy: -40.291
flat angles C4'-P-C4' energy: -32.658
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: 3.086
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: 26
Temperature: 1.250000
Total energy: -178.396595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.396595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.396595 (E_RNA)
where:
Base-Base interactions energy: -53.504
where: short stacking energy: -39.270
Base-Backbone interact. energy: -1.259
local terms energy: -123.634130
where:
bonds (distance) C4'-P energy: -33.761
bonds (distance) P-C4' energy: -35.037
flat angles C4'-P-C4' energy: -30.371
flat angles P-C4'-P energy: -24.253
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: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -163.553004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.553004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.553004 (E_RNA)
where:
Base-Base interactions energy: -66.742
where: short stacking energy: -41.400
Base-Backbone interact. energy: -1.180
local terms energy: -95.630739
where:
bonds (distance) C4'-P energy: -27.732
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -24.522
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: 2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -136.657609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.657609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.657609 (E_RNA)
where:
Base-Base interactions energy: -31.653
where: short stacking energy: -29.629
Base-Backbone interact. energy: -0.984
local terms energy: -104.020522
where:
bonds (distance) C4'-P energy: -33.600
bonds (distance) P-C4' energy: -34.131
flat angles C4'-P-C4' energy: -28.842
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: 11.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -528.374010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.374010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.374010 (E_RNA)
where:
Base-Base interactions energy: -347.140
where: short stacking energy: -170.099
Base-Backbone interact. energy: -0.028
local terms energy: -181.206041
where:
bonds (distance) C4'-P energy: -32.396
bonds (distance) P-C4' energy: -33.151
flat angles C4'-P-C4' energy: -40.578
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -57.781
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: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -473.097875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.097875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.097875 (E_RNA)
where:
Base-Base interactions energy: -312.244
where: short stacking energy: -135.773
Base-Backbone interact. energy: 0.766
local terms energy: -161.620402
where:
bonds (distance) C4'-P energy: -33.392
bonds (distance) P-C4' energy: -34.550
flat angles C4'-P-C4' energy: -32.228
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: -41.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -390.233438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.233438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.233438 (E_RNA)
where:
Base-Base interactions energy: -234.286
where: short stacking energy: -110.272
Base-Backbone interact. energy: -0.612
local terms energy: -155.335207
where:
bonds (distance) C4'-P energy: -36.484
bonds (distance) P-C4' energy: -37.850
flat angles C4'-P-C4' energy: -32.499
flat angles P-C4'-P energy: -26.278
tors. eta vs tors. theta energy: -22.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -383.042957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.042957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.042957 (E_RNA)
where:
Base-Base interactions energy: -243.965
where: short stacking energy: -100.929
Base-Backbone interact. energy: -2.959
local terms energy: -136.118905
where:
bonds (distance) C4'-P energy: -29.173
bonds (distance) P-C4' energy: -29.043
flat angles C4'-P-C4' energy: -32.184
flat angles P-C4'-P energy: -23.385
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -394.188577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.188577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.188577 (E_RNA)
where:
Base-Base interactions energy: -242.595
where: short stacking energy: -113.391
Base-Backbone interact. energy: -1.159
local terms energy: -150.435051
where:
bonds (distance) C4'-P energy: -32.473
bonds (distance) P-C4' energy: -32.241
flat angles C4'-P-C4' energy: -30.547
flat angles P-C4'-P energy: -21.318
tors. eta vs tors. theta energy: -33.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -247.920937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.920937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.920937 (E_RNA)
where:
Base-Base interactions energy: -124.456
where: short stacking energy: -81.755
Base-Backbone interact. energy: -1.484
local terms energy: -121.980476
where:
bonds (distance) C4'-P energy: -33.357
bonds (distance) P-C4' energy: -27.481
flat angles C4'-P-C4' energy: -24.476
flat angles P-C4'-P energy: -20.234
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -177.487039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.487039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.487039 (E_RNA)
where:
Base-Base interactions energy: -60.685
where: short stacking energy: -50.938
Base-Backbone interact. energy: -0.255
local terms energy: -116.547278
where:
bonds (distance) C4'-P energy: -31.770
bonds (distance) P-C4' energy: -32.766
flat angles C4'-P-C4' energy: -31.622
flat angles P-C4'-P energy: -18.029
tors. eta vs tors. theta energy: -2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -200.227094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.227094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.227094 (E_RNA)
where:
Base-Base interactions energy: -80.821
where: short stacking energy: -62.043
Base-Backbone interact. energy: 1.297
local terms energy: -120.703329
where:
bonds (distance) C4'-P energy: -30.596
bonds (distance) P-C4' energy: -34.997
flat angles C4'-P-C4' energy: -29.749
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -10.321
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: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -156.555927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.555927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.555927 (E_RNA)
where:
Base-Base interactions energy: -51.430
where: short stacking energy: -51.430
Base-Backbone interact. energy: -1.221
local terms energy: -103.905194
where:
bonds (distance) C4'-P energy: -31.392
bonds (distance) P-C4' energy: -30.161
flat angles C4'-P-C4' energy: -26.455
flat angles P-C4'-P energy: -22.074
tors. eta vs tors. theta energy: 6.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -146.443026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.443026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.443026 (E_RNA)
where:
Base-Base interactions energy: -34.480
where: short stacking energy: -33.937
Base-Backbone interact. energy: 0.112
local terms energy: -112.075431
where:
bonds (distance) C4'-P energy: -38.230
bonds (distance) P-C4' energy: -28.662
flat angles C4'-P-C4' energy: -30.905
flat angles P-C4'-P energy: -18.766
tors. eta vs tors. theta energy: 4.487
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: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -467.496078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.496078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.496078 (E_RNA)
where:
Base-Base interactions energy: -312.821
where: short stacking energy: -129.506
Base-Backbone interact. energy: -1.219
local terms energy: -153.456046
where:
bonds (distance) C4'-P energy: -28.298
bonds (distance) P-C4' energy: -34.590
flat angles C4'-P-C4' energy: -35.308
flat angles P-C4'-P energy: -18.448
tors. eta vs tors. theta energy: -36.812
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: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -501.458708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.458708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.458708 (E_RNA)
where:
Base-Base interactions energy: -327.636
where: short stacking energy: -142.341
Base-Backbone interact. energy: -0.294
local terms energy: -173.529123
where:
bonds (distance) C4'-P energy: -33.470
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -37.369
flat angles P-C4'-P energy: -29.412
tors. eta vs tors. theta energy: -39.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -405.922233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.922233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.922233 (E_RNA)
where:
Base-Base interactions energy: -250.410
where: short stacking energy: -116.059
Base-Backbone interact. energy: -0.637
local terms energy: -154.875494
where:
bonds (distance) C4'-P energy: -35.712
bonds (distance) P-C4' energy: -34.285
flat angles C4'-P-C4' energy: -33.053
flat angles P-C4'-P energy: -23.420
tors. eta vs tors. theta energy: -28.406
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: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -397.607459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.607459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.607459 (E_RNA)
where:
Base-Base interactions energy: -249.430
where: short stacking energy: -102.138
Base-Backbone interact. energy: -1.242
local terms energy: -146.935407
where:
bonds (distance) C4'-P energy: -32.047
bonds (distance) P-C4' energy: -35.921
flat angles C4'-P-C4' energy: -40.101
flat angles P-C4'-P energy: -19.731
tors. eta vs tors. theta energy: -19.135
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: 8
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -400.176698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.176698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.176698 (E_RNA)
where:
Base-Base interactions energy: -244.291
where: short stacking energy: -125.335
Base-Backbone interact. energy: -0.615
local terms energy: -155.269770
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -34.026
flat angles C4'-P-C4' energy: -34.349
flat angles P-C4'-P energy: -28.422
tors. eta vs tors. theta energy: -40.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -245.641012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.641012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.641012 (E_RNA)
where:
Base-Base interactions energy: -138.470
where: short stacking energy: -73.371
Base-Backbone interact. energy: 0.783
local terms energy: -107.953678
where:
bonds (distance) C4'-P energy: -29.013
bonds (distance) P-C4' energy: -32.674
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -11.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -216.944113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.944113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.944113 (E_RNA)
where:
Base-Base interactions energy: -108.132
where: short stacking energy: -53.169
Base-Backbone interact. energy: 0.910
local terms energy: -109.722467
where:
bonds (distance) C4'-P energy: -24.663
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -28.920
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -198.291949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.291949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.291949 (E_RNA)
where:
Base-Base interactions energy: -91.461
where: short stacking energy: -57.908
Base-Backbone interact. energy: 1.658
local terms energy: -108.488424
where:
bonds (distance) C4'-P energy: -26.796
bonds (distance) P-C4' energy: -29.924
flat angles C4'-P-C4' energy: -32.333
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -176.804504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.804504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.804504 (E_RNA)
where:
Base-Base interactions energy: -60.471
where: short stacking energy: -56.732
Base-Backbone interact. energy: -0.850
local terms energy: -115.483391
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -34.259
flat angles C4'-P-C4' energy: -30.348
flat angles P-C4'-P energy: -17.934
tors. eta vs tors. theta energy: -6.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -143.943481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.943481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.943481 (E_RNA)
where:
Base-Base interactions energy: -43.510
where: short stacking energy: -29.189
Base-Backbone interact. energy: 0.001
local terms energy: -100.434821
where:
bonds (distance) C4'-P energy: -32.139
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -26.767
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: 2.403
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: 29
Temperature: 0.900000
Total energy: -461.447064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.447064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.447064 (E_RNA)
where:
Base-Base interactions energy: -291.717
where: short stacking energy: -132.626
Base-Backbone interact. energy: -0.339
local terms energy: -169.391324
where:
bonds (distance) C4'-P energy: -31.296
bonds (distance) P-C4' energy: -40.793
flat angles C4'-P-C4' energy: -34.756
flat angles P-C4'-P energy: -21.281
tors. eta vs tors. theta energy: -41.266
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: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -517.775572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.775572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.775572 (E_RNA)
where:
Base-Base interactions energy: -325.915
where: short stacking energy: -165.128
Base-Backbone interact. energy: -0.024
local terms energy: -191.836680
where:
bonds (distance) C4'-P energy: -32.976
bonds (distance) P-C4' energy: -37.224
flat angles C4'-P-C4' energy: -40.689
flat angles P-C4'-P energy: -22.854
tors. eta vs tors. theta energy: -58.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -403.281901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.281901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.281901 (E_RNA)
where:
Base-Base interactions energy: -250.928
where: short stacking energy: -106.846
Base-Backbone interact. energy: -0.008
local terms energy: -152.346578
where:
bonds (distance) C4'-P energy: -33.177
bonds (distance) P-C4' energy: -34.740
flat angles C4'-P-C4' energy: -37.199
flat angles P-C4'-P energy: -24.038
tors. eta vs tors. theta energy: -23.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -419.058570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.058570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.058570 (E_RNA)
where:
Base-Base interactions energy: -269.786
where: short stacking energy: -97.821
Base-Backbone interact. energy: -0.124
local terms energy: -149.148716
where:
bonds (distance) C4'-P energy: -29.564
bonds (distance) P-C4' energy: -38.413
flat angles C4'-P-C4' energy: -34.627
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: -27.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -376.231279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.231279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.231279 (E_RNA)
where:
Base-Base interactions energy: -218.437
where: short stacking energy: -93.445
Base-Backbone interact. energy: 1.735
local terms energy: -159.528860
where:
bonds (distance) C4'-P energy: -33.279
bonds (distance) P-C4' energy: -39.447
flat angles C4'-P-C4' energy: -34.720
flat angles P-C4'-P energy: -22.441
tors. eta vs tors. theta energy: -29.642
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: 29
Temperature: 1.150000
Total energy: -244.779452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.779452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.779452 (E_RNA)
where:
Base-Base interactions energy: -129.790
where: short stacking energy: -74.853
Base-Backbone interact. energy: -1.369
local terms energy: -113.620704
where:
bonds (distance) C4'-P energy: -27.578
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -31.863
flat angles P-C4'-P energy: -24.920
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: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -176.282655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.282655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.282655 (E_RNA)
where:
Base-Base interactions energy: -75.917
where: short stacking energy: -48.038
Base-Backbone interact. energy: 0.270
local terms energy: -100.635351
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -28.828
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -166.247237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.247237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.247237 (E_RNA)
where:
Base-Base interactions energy: -69.987
where: short stacking energy: -46.638
Base-Backbone interact. energy: -0.343
local terms energy: -95.917802
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -32.115
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -21.786
tors. eta vs tors. theta energy: 1.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -144.960619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.960619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.960619 (E_RNA)
where:
Base-Base interactions energy: -59.057
where: short stacking energy: -34.019
Base-Backbone interact. energy: -0.403
local terms energy: -85.499986
where:
bonds (distance) C4'-P energy: -29.833
bonds (distance) P-C4' energy: -32.559
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: 10.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -151.511235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.511235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.511235 (E_RNA)
where:
Base-Base interactions energy: -60.540
where: short stacking energy: -27.829
Base-Backbone interact. energy: -0.117
local terms energy: -90.853848
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -36.743
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -19.996
tors. eta vs tors. theta energy: 9.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -526.772631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.772631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.772631 (E_RNA)
where:
Base-Base interactions energy: -339.715
where: short stacking energy: -158.307
Base-Backbone interact. energy: -0.128
local terms energy: -186.929805
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -41.627
flat angles C4'-P-C4' energy: -33.016
flat angles P-C4'-P energy: -28.348
tors. eta vs tors. theta energy: -52.304
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: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -460.706315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.706315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.706315 (E_RNA)
where:
Base-Base interactions energy: -294.776
where: short stacking energy: -140.478
Base-Backbone interact. energy: -1.729
local terms energy: -164.201155
where:
bonds (distance) C4'-P energy: -32.924
bonds (distance) P-C4' energy: -30.605
flat angles C4'-P-C4' energy: -39.718
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -40.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -463.434038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.434038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.434038 (E_RNA)
where:
Base-Base interactions energy: -315.366
where: short stacking energy: -128.076
Base-Backbone interact. energy: -1.104
local terms energy: -146.964776
where:
bonds (distance) C4'-P energy: -33.254
bonds (distance) P-C4' energy: -33.094
flat angles C4'-P-C4' energy: -33.327
flat angles P-C4'-P energy: -18.755
tors. eta vs tors. theta energy: -28.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -409.640705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.640705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.640705 (E_RNA)
where:
Base-Base interactions energy: -262.046
where: short stacking energy: -104.683
Base-Backbone interact. energy: -0.966
local terms energy: -146.628776
where:
bonds (distance) C4'-P energy: -31.667
bonds (distance) P-C4' energy: -35.661
flat angles C4'-P-C4' energy: -32.196
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -29.426
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: 5, replica: 8
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -323.051110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.051110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.051110 (E_RNA)
where:
Base-Base interactions energy: -200.430
where: short stacking energy: -98.733
Base-Backbone interact. energy: -0.526
local terms energy: -122.094891
where:
bonds (distance) C4'-P energy: -25.711
bonds (distance) P-C4' energy: -30.765
flat angles C4'-P-C4' energy: -29.308
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -19.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -248.181998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.181998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.181998 (E_RNA)
where:
Base-Base interactions energy: -126.862
where: short stacking energy: -69.628
Base-Backbone interact. energy: -1.526
local terms energy: -119.794287
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -35.581
flat angles P-C4'-P energy: -22.998
tors. eta vs tors. theta energy: -10.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -184.508199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.508199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.508199 (E_RNA)
where:
Base-Base interactions energy: -63.858
where: short stacking energy: -57.158
Base-Backbone interact. energy: -0.166
local terms energy: -120.484448
where:
bonds (distance) C4'-P energy: -32.334
bonds (distance) P-C4' energy: -27.368
flat angles C4'-P-C4' energy: -24.476
flat angles P-C4'-P energy: -24.072
tors. eta vs tors. theta energy: -12.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -182.421791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.421791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.421791 (E_RNA)
where:
Base-Base interactions energy: -64.873
where: short stacking energy: -47.097
Base-Backbone interact. energy: 2.654
local terms energy: -120.202494
where:
bonds (distance) C4'-P energy: -34.101
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -33.183
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: 2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -149.703919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.703919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.703919 (E_RNA)
where:
Base-Base interactions energy: -62.032
where: short stacking energy: -49.379
Base-Backbone interact. energy: -0.425
local terms energy: -87.246532
where:
bonds (distance) C4'-P energy: -27.943
bonds (distance) P-C4' energy: -24.623
flat angles C4'-P-C4' energy: -35.854
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: 13.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -155.300748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.300748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.300748 (E_RNA)
where:
Base-Base interactions energy: -52.458
where: short stacking energy: -52.458
Base-Backbone interact. energy: -1.628
local terms energy: -101.213984
where:
bonds (distance) C4'-P energy: -30.159
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -19.388
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -516.408248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.408248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.408248 (E_RNA)
where:
Base-Base interactions energy: -324.803
where: short stacking energy: -158.637
Base-Backbone interact. energy: -0.182
local terms energy: -191.423752
where:
bonds (distance) C4'-P energy: -36.528
bonds (distance) P-C4' energy: -39.459
flat angles C4'-P-C4' energy: -36.832
flat angles P-C4'-P energy: -23.322
tors. eta vs tors. theta energy: -55.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -454.377085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.377085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.377085 (E_RNA)
where:
Base-Base interactions energy: -293.802
where: short stacking energy: -129.970
Base-Backbone interact. energy: -0.371
local terms energy: -160.203292
where:
bonds (distance) C4'-P energy: -33.162
bonds (distance) P-C4' energy: -30.160
flat angles C4'-P-C4' energy: -28.456
flat angles P-C4'-P energy: -29.580
tors. eta vs tors. theta energy: -38.846
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: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -445.950549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.950549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.950549 (E_RNA)
where:
Base-Base interactions energy: -297.422
where: short stacking energy: -94.273
Base-Backbone interact. energy: 1.122
local terms energy: -149.650270
where:
bonds (distance) C4'-P energy: -31.143
bonds (distance) P-C4' energy: -39.789
flat angles C4'-P-C4' energy: -34.880
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -21.416
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: 7
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -369.401079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.401079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.401079 (E_RNA)
where:
Base-Base interactions energy: -217.051
where: short stacking energy: -98.193
Base-Backbone interact. energy: -1.295
local terms energy: -151.054776
where:
bonds (distance) C4'-P energy: -36.967
bonds (distance) P-C4' energy: -38.607
flat angles C4'-P-C4' energy: -25.848
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -29.594
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: 8
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -292.217733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.217733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.217733 (E_RNA)
where:
Base-Base interactions energy: -161.286
where: short stacking energy: -72.615
Base-Backbone interact. energy: -1.247
local terms energy: -129.684755
where:
bonds (distance) C4'-P energy: -35.863
bonds (distance) P-C4' energy: -36.496
flat angles C4'-P-C4' energy: -33.799
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -208.919327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.919327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.919327 (E_RNA)
where:
Base-Base interactions energy: -89.418
where: short stacking energy: -62.888
Base-Backbone interact. energy: -2.695
local terms energy: -116.806405
where:
bonds (distance) C4'-P energy: -23.056
bonds (distance) P-C4' energy: -31.121
flat angles C4'-P-C4' energy: -30.848
flat angles P-C4'-P energy: -23.307
tors. eta vs tors. theta energy: -8.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -206.290788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.290788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.290788 (E_RNA)
where:
Base-Base interactions energy: -101.943
where: short stacking energy: -53.094
Base-Backbone interact. energy: 1.756
local terms energy: -106.104210
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -35.342
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -23.657
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -188.878554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.878554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.878554 (E_RNA)
where:
Base-Base interactions energy: -76.806
where: short stacking energy: -59.432
Base-Backbone interact. energy: -0.422
local terms energy: -111.650831
where:
bonds (distance) C4'-P energy: -26.933
bonds (distance) P-C4' energy: -30.658
flat angles C4'-P-C4' energy: -31.337
flat angles P-C4'-P energy: -18.478
tors. eta vs tors. theta energy: -4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -170.085258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.085258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.085258 (E_RNA)
where:
Base-Base interactions energy: -79.740
where: short stacking energy: -46.809
Base-Backbone interact. energy: -0.821
local terms energy: -89.524683
where:
bonds (distance) C4'-P energy: -26.500
bonds (distance) P-C4' energy: -33.233
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: 1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -155.765690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.765690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.765690 (E_RNA)
where:
Base-Base interactions energy: -56.616
where: short stacking energy: -41.622
Base-Backbone interact. energy: 1.469
local terms energy: -100.619151
where:
bonds (distance) C4'-P energy: -28.133
bonds (distance) P-C4' energy: -28.360
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -22.129
tors. eta vs tors. theta energy: 3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -538.292383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.292383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.292383 (E_RNA)
where:
Base-Base interactions energy: -342.498
where: short stacking energy: -179.656
Base-Backbone interact. energy: -0.618
local terms energy: -195.176541
where:
bonds (distance) C4'-P energy: -35.495
bonds (distance) P-C4' energy: -29.578
flat angles C4'-P-C4' energy: -44.996
flat angles P-C4'-P energy: -27.028
tors. eta vs tors. theta energy: -58.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -450.628129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.628129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.628129 (E_RNA)
where:
Base-Base interactions energy: -289.719
where: short stacking energy: -128.746
Base-Backbone interact. energy: -0.454
local terms energy: -160.455300
where:
bonds (distance) C4'-P energy: -40.339
bonds (distance) P-C4' energy: -30.147
flat angles C4'-P-C4' energy: -38.066
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -34.423
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: 32
Temperature: 1.000000
Total energy: -460.755591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.755591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.755591 (E_RNA)
where:
Base-Base interactions energy: -305.816
where: short stacking energy: -125.363
Base-Backbone interact. energy: -0.473
local terms energy: -154.466239
where:
bonds (distance) C4'-P energy: -26.931
bonds (distance) P-C4' energy: -35.828
flat angles C4'-P-C4' energy: -37.340
flat angles P-C4'-P energy: -22.268
tors. eta vs tors. theta energy: -32.100
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: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -381.311372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.311372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.311372 (E_RNA)
where:
Base-Base interactions energy: -222.916
where: short stacking energy: -119.955
Base-Backbone interact. energy: -0.103
local terms energy: -158.292921
where:
bonds (distance) C4'-P energy: -33.332
bonds (distance) P-C4' energy: -36.455
flat angles C4'-P-C4' energy: -34.456
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -36.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -222.791070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.791070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.791070 (E_RNA)
where:
Base-Base interactions energy: -105.034
where: short stacking energy: -52.980
Base-Backbone interact. energy: -1.162
local terms energy: -116.595216
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -33.152
flat angles C4'-P-C4' energy: -31.782
flat angles P-C4'-P energy: -20.865
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -291.631557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.631557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.631557 (E_RNA)
where:
Base-Base interactions energy: -164.737
where: short stacking energy: -75.018
Base-Backbone interact. energy: -0.134
local terms energy: -126.760332
where:
bonds (distance) C4'-P energy: -36.225
bonds (distance) P-C4' energy: -32.395
flat angles C4'-P-C4' energy: -31.102
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -226.345129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.345129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.345129 (E_RNA)
where:
Base-Base interactions energy: -111.448
where: short stacking energy: -70.073
Base-Backbone interact. energy: -0.152
local terms energy: -114.745589
where:
bonds (distance) C4'-P energy: -32.846
bonds (distance) P-C4' energy: -30.860
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -21.849
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -193.130408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.130408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.130408 (E_RNA)
where:
Base-Base interactions energy: -78.317
where: short stacking energy: -37.633
Base-Backbone interact. energy: -1.053
local terms energy: -113.760065
where:
bonds (distance) C4'-P energy: -35.830
bonds (distance) P-C4' energy: -35.566
flat angles C4'-P-C4' energy: -19.684
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -5.029
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: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -159.023595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.023595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.023595 (E_RNA)
where:
Base-Base interactions energy: -46.195
where: short stacking energy: -39.778
Base-Backbone interact. energy: -1.018
local terms energy: -111.809965
where:
bonds (distance) C4'-P energy: -31.835
bonds (distance) P-C4' energy: -34.406
flat angles C4'-P-C4' energy: -24.551
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -146.943662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.943662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.943662 (E_RNA)
where:
Base-Base interactions energy: -46.172
where: short stacking energy: -37.066
Base-Backbone interact. energy: 1.137
local terms energy: -101.909039
where:
bonds (distance) C4'-P energy: -29.007
bonds (distance) P-C4' energy: -27.505
flat angles C4'-P-C4' energy: -35.162
flat angles P-C4'-P energy: -10.837
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: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -520.522168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.522168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.522168 (E_RNA)
where:
Base-Base interactions energy: -344.784
where: short stacking energy: -155.734
Base-Backbone interact. energy: 0.675
local terms energy: -176.414043
where:
bonds (distance) C4'-P energy: -28.858
bonds (distance) P-C4' energy: -34.914
flat angles C4'-P-C4' energy: -37.012
flat angles P-C4'-P energy: -23.866
tors. eta vs tors. theta energy: -51.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -496.459048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.459048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.459048 (E_RNA)
where:
Base-Base interactions energy: -342.324
where: short stacking energy: -128.510
Base-Backbone interact. energy: -2.047
local terms energy: -152.088281
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -34.614
flat angles C4'-P-C4' energy: -39.285
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: -36.419
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: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -441.440391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.440391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.440391 (E_RNA)
where:
Base-Base interactions energy: -287.851
where: short stacking energy: -125.307
Base-Backbone interact. energy: -0.038
local terms energy: -153.551986
where:
bonds (distance) C4'-P energy: -30.611
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -37.029
flat angles P-C4'-P energy: -21.772
tors. eta vs tors. theta energy: -33.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -350.063530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.063530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.063530 (E_RNA)
where:
Base-Base interactions energy: -213.783
where: short stacking energy: -92.226
Base-Backbone interact. energy: -0.776
local terms energy: -135.504146
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -31.992
flat angles C4'-P-C4' energy: -34.570
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -235.089701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.089701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.089701 (E_RNA)
where:
Base-Base interactions energy: -96.215
where: short stacking energy: -75.337
Base-Backbone interact. energy: -0.273
local terms energy: -138.601747
where:
bonds (distance) C4'-P energy: -36.144
bonds (distance) P-C4' energy: -28.313
flat angles C4'-P-C4' energy: -36.341
flat angles P-C4'-P energy: -22.679
tors. eta vs tors. theta energy: -15.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -282.784221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.784221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.784221 (E_RNA)
where:
Base-Base interactions energy: -147.873
where: short stacking energy: -80.258
Base-Backbone interact. energy: -1.044
local terms energy: -133.867786
where:
bonds (distance) C4'-P energy: -35.836
bonds (distance) P-C4' energy: -39.902
flat angles C4'-P-C4' energy: -26.544
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -194.535972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.535972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.535972 (E_RNA)
where:
Base-Base interactions energy: -86.066
where: short stacking energy: -53.512
Base-Backbone interact. energy: 0.150
local terms energy: -108.620234
where:
bonds (distance) C4'-P energy: -28.717
bonds (distance) P-C4' energy: -28.732
flat angles C4'-P-C4' energy: -27.252
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -180.322420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.322420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.322420 (E_RNA)
where:
Base-Base interactions energy: -66.834
where: short stacking energy: -55.820
Base-Backbone interact. energy: -0.786
local terms energy: -112.702586
where:
bonds (distance) C4'-P energy: -36.271
bonds (distance) P-C4' energy: -38.756
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -169.231449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.231449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.231449 (E_RNA)
where:
Base-Base interactions energy: -77.847
where: short stacking energy: -55.120
Base-Backbone interact. energy: -0.368
local terms energy: -91.016178
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -25.921
flat angles C4'-P-C4' energy: -22.450
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -8.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -143.113033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.113033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.113033 (E_RNA)
where:
Base-Base interactions energy: -55.655
where: short stacking energy: -50.312
Base-Backbone interact. energy: 1.675
local terms energy: -89.132970
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -27.911
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -5.048
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: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -506.248787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.248787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.248787 (E_RNA)
where:
Base-Base interactions energy: -348.556
where: short stacking energy: -133.890
Base-Backbone interact. energy: -1.792
local terms energy: -155.901204
where:
bonds (distance) C4'-P energy: -27.352
bonds (distance) P-C4' energy: -33.707
flat angles C4'-P-C4' energy: -37.588
flat angles P-C4'-P energy: -22.540
tors. eta vs tors. theta energy: -34.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -510.752033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.752033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.752033 (E_RNA)
where:
Base-Base interactions energy: -335.452
where: short stacking energy: -155.590
Base-Backbone interact. energy: -0.650
local terms energy: -174.649587
where:
bonds (distance) C4'-P energy: -38.373
bonds (distance) P-C4' energy: -28.761
flat angles C4'-P-C4' energy: -34.479
flat angles P-C4'-P energy: -27.843
tors. eta vs tors. theta energy: -45.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -430.609995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.609995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.609995 (E_RNA)
where:
Base-Base interactions energy: -275.905
where: short stacking energy: -131.733
Base-Backbone interact. energy: 0.725
local terms energy: -155.429617
where:
bonds (distance) C4'-P energy: -30.765
bonds (distance) P-C4' energy: -32.415
flat angles C4'-P-C4' energy: -33.472
flat angles P-C4'-P energy: -22.590
tors. eta vs tors. theta energy: -36.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -342.454903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.454903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.454903 (E_RNA)
where:
Base-Base interactions energy: -202.151
where: short stacking energy: -101.665
Base-Backbone interact. energy: -0.057
local terms energy: -140.246211
where:
bonds (distance) C4'-P energy: -35.900
bonds (distance) P-C4' energy: -25.415
flat angles C4'-P-C4' energy: -31.258
flat angles P-C4'-P energy: -20.661
tors. eta vs tors. theta energy: -27.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -293.091458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.091458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.091458 (E_RNA)
where:
Base-Base interactions energy: -161.711
where: short stacking energy: -87.904
Base-Backbone interact. energy: -1.077
local terms energy: -130.304087
where:
bonds (distance) C4'-P energy: -21.988
bonds (distance) P-C4' energy: -33.348
flat angles C4'-P-C4' energy: -32.216
flat angles P-C4'-P energy: -24.566
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -186.328553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.328553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.328553 (E_RNA)
where:
Base-Base interactions energy: -72.044
where: short stacking energy: -55.063
Base-Backbone interact. energy: -1.547
local terms energy: -112.737472
where:
bonds (distance) C4'-P energy: -31.308
bonds (distance) P-C4' energy: -29.353
flat angles C4'-P-C4' energy: -37.483
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: 2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -262.501036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.501036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.501036 (E_RNA)
where:
Base-Base interactions energy: -140.144
where: short stacking energy: -75.190
Base-Backbone interact. energy: 3.292
local terms energy: -125.648370
where:
bonds (distance) C4'-P energy: -25.915
bonds (distance) P-C4' energy: -34.642
flat angles C4'-P-C4' energy: -26.777
flat angles P-C4'-P energy: -20.496
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -172.795802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.795802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.795802 (E_RNA)
where:
Base-Base interactions energy: -67.656
where: short stacking energy: -45.655
Base-Backbone interact. energy: -1.167
local terms energy: -103.973193
where:
bonds (distance) C4'-P energy: -32.538
bonds (distance) P-C4' energy: -35.638
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: 4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -173.684658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.684658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.684658 (E_RNA)
where:
Base-Base interactions energy: -67.737
where: short stacking energy: -43.623
Base-Backbone interact. energy: 2.326
local terms energy: -108.273809
where:
bonds (distance) C4'-P energy: -29.546
bonds (distance) P-C4' energy: -25.529
flat angles C4'-P-C4' energy: -32.088
flat angles P-C4'-P energy: -19.329
tors. eta vs tors. theta energy: -1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -150.031884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.031884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.031884 (E_RNA)
where:
Base-Base interactions energy: -43.697
where: short stacking energy: -23.746
Base-Backbone interact. energy: 0.241
local terms energy: -106.575323
where:
bonds (distance) C4'-P energy: -31.575
bonds (distance) P-C4' energy: -35.477
flat angles C4'-P-C4' energy: -37.680
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: 6.174
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: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -512.933995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.933995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.933995 (E_RNA)
where:
Base-Base interactions energy: -339.987
where: short stacking energy: -125.099
Base-Backbone interact. energy: -2.359
local terms energy: -170.587448
where:
bonds (distance) C4'-P energy: -36.938
bonds (distance) P-C4' energy: -39.253
flat angles C4'-P-C4' energy: -38.975
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -31.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -494.311622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.311622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.311622 (E_RNA)
where:
Base-Base interactions energy: -316.954
where: short stacking energy: -154.901
Base-Backbone interact. energy: -0.044
local terms energy: -177.313634
where:
bonds (distance) C4'-P energy: -31.494
bonds (distance) P-C4' energy: -36.906
flat angles C4'-P-C4' energy: -35.304
flat angles P-C4'-P energy: -21.305
tors. eta vs tors. theta energy: -52.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -453.686526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.686526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.686526 (E_RNA)
where:
Base-Base interactions energy: -293.987
where: short stacking energy: -144.640
Base-Backbone interact. energy: -1.765
local terms energy: -157.934461
where:
bonds (distance) C4'-P energy: -35.362
bonds (distance) P-C4' energy: -24.512
flat angles C4'-P-C4' energy: -39.487
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: -41.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -339.267023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.267023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.267023 (E_RNA)
where:
Base-Base interactions energy: -196.630
where: short stacking energy: -92.386
Base-Backbone interact. energy: -1.311
local terms energy: -141.326117
where:
bonds (distance) C4'-P energy: -34.310
bonds (distance) P-C4' energy: -40.665
flat angles C4'-P-C4' energy: -32.231
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -276.232089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.232089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.232089 (E_RNA)
where:
Base-Base interactions energy: -130.794
where: short stacking energy: -72.088
Base-Backbone interact. energy: 1.969
local terms energy: -147.406823
where:
bonds (distance) C4'-P energy: -36.441
bonds (distance) P-C4' energy: -40.970
flat angles C4'-P-C4' energy: -35.224
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -19.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -260.314908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.314908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.314908 (E_RNA)
where:
Base-Base interactions energy: -141.438
where: short stacking energy: -68.219
Base-Backbone interact. energy: -0.477
local terms energy: -118.399697
where:
bonds (distance) C4'-P energy: -30.092
bonds (distance) P-C4' energy: -26.968
flat angles C4'-P-C4' energy: -38.749
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -11.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -180.662065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.662065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.662065 (E_RNA)
where:
Base-Base interactions energy: -66.694
where: short stacking energy: -59.975
Base-Backbone interact. energy: -1.423
local terms energy: -112.545594
where:
bonds (distance) C4'-P energy: -33.826
bonds (distance) P-C4' energy: -30.387
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -12.021
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: 35
Temperature: 1.250000
Total energy: -167.581285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.581285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.581285 (E_RNA)
where:
Base-Base interactions energy: -40.060
where: short stacking energy: -36.456
Base-Backbone interact. energy: -0.366
local terms energy: -127.155369
where:
bonds (distance) C4'-P energy: -27.218
bonds (distance) P-C4' energy: -43.163
flat angles C4'-P-C4' energy: -32.949
flat angles P-C4'-P energy: -21.699
tors. eta vs tors. theta energy: -2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -157.909563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.909563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.909563 (E_RNA)
where:
Base-Base interactions energy: -66.962
where: short stacking energy: -32.100
Base-Backbone interact. energy: -0.937
local terms energy: -90.009888
where:
bonds (distance) C4'-P energy: -29.800
bonds (distance) P-C4' energy: -26.764
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: 7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -147.354499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.354499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.354499 (E_RNA)
where:
Base-Base interactions energy: -49.401
where: short stacking energy: -34.619
Base-Backbone interact. energy: -0.956
local terms energy: -96.996993
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -28.427
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: 1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -502.266996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.266996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.266996 (E_RNA)
where:
Base-Base interactions energy: -323.438
where: short stacking energy: -149.534
Base-Backbone interact. energy: -1.313
local terms energy: -177.515519
where:
bonds (distance) C4'-P energy: -37.152
bonds (distance) P-C4' energy: -35.702
flat angles C4'-P-C4' energy: -34.378
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: -45.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -481.051439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.051439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.051439 (E_RNA)
where:
Base-Base interactions energy: -324.087
where: short stacking energy: -121.268
Base-Backbone interact. energy: -1.603
local terms energy: -155.360747
where:
bonds (distance) C4'-P energy: -33.802
bonds (distance) P-C4' energy: -33.825
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -17.479
tors. eta vs tors. theta energy: -38.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -442.334418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.334418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.334418 (E_RNA)
where:
Base-Base interactions energy: -280.508
where: short stacking energy: -131.212
Base-Backbone interact. energy: -0.999
local terms energy: -160.827769
where:
bonds (distance) C4'-P energy: -32.800
bonds (distance) P-C4' energy: -31.430
flat angles C4'-P-C4' energy: -37.843
flat angles P-C4'-P energy: -24.153
tors. eta vs tors. theta energy: -34.602
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: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -342.457577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.457577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.457577 (E_RNA)
where:
Base-Base interactions energy: -193.498
where: short stacking energy: -94.472
Base-Backbone interact. energy: 2.169
local terms energy: -151.128588
where:
bonds (distance) C4'-P energy: -34.015
bonds (distance) P-C4' energy: -32.947
flat angles C4'-P-C4' energy: -33.976
flat angles P-C4'-P energy: -24.102
tors. eta vs tors. theta energy: -26.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -273.536612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.536612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.536612 (E_RNA)
where:
Base-Base interactions energy: -152.568
where: short stacking energy: -71.529
Base-Backbone interact. energy: 0.155
local terms energy: -121.123418
where:
bonds (distance) C4'-P energy: -37.104
bonds (distance) P-C4' energy: -35.064
flat angles C4'-P-C4' energy: -29.133
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -246.734763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.734763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.734763 (E_RNA)
where:
Base-Base interactions energy: -133.636
where: short stacking energy: -85.746
Base-Backbone interact. energy: 0.455
local terms energy: -113.553811
where:
bonds (distance) C4'-P energy: -33.101
bonds (distance) P-C4' energy: -25.895
flat angles C4'-P-C4' energy: -25.184
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -192.568357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.568357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.568357 (E_RNA)
where:
Base-Base interactions energy: -71.997
where: short stacking energy: -39.214
Base-Backbone interact. energy: -0.897
local terms energy: -119.673823
where:
bonds (distance) C4'-P energy: -34.433
bonds (distance) P-C4' energy: -29.071
flat angles C4'-P-C4' energy: -30.076
flat angles P-C4'-P energy: -28.568
tors. eta vs tors. theta energy: 2.473
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: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -171.942687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.942687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.942687 (E_RNA)
where:
Base-Base interactions energy: -63.390
where: short stacking energy: -50.129
Base-Backbone interact. energy: -0.306
local terms energy: -108.246612
where:
bonds (distance) C4'-P energy: -30.795
bonds (distance) P-C4' energy: -34.903
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -158.617022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.617022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.617022 (E_RNA)
where:
Base-Base interactions energy: -59.356
where: short stacking energy: -40.907
Base-Backbone interact. energy: -0.597
local terms energy: -98.663561
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -31.898
flat angles C4'-P-C4' energy: -25.475
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: 2.023
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: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -140.541947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.541947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.541947 (E_RNA)
where:
Base-Base interactions energy: -52.556
where: short stacking energy: -25.384
Base-Backbone interact. energy: 0.464
local terms energy: -88.450082
where:
bonds (distance) C4'-P energy: -27.189
bonds (distance) P-C4' energy: -38.818
flat angles C4'-P-C4' energy: -26.443
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: 16.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -533.479507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.479507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.479507 (E_RNA)
where:
Base-Base interactions energy: -342.223
where: short stacking energy: -165.451
Base-Backbone interact. energy: -0.766
local terms energy: -190.490906
where:
bonds (distance) C4'-P energy: -34.191
bonds (distance) P-C4' energy: -34.761
flat angles C4'-P-C4' energy: -39.482
flat angles P-C4'-P energy: -27.593
tors. eta vs tors. theta energy: -54.465
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: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -434.108262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.108262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.108262 (E_RNA)
where:
Base-Base interactions energy: -276.497
where: short stacking energy: -120.015
Base-Backbone interact. energy: -1.443
local terms energy: -156.167795
where:
bonds (distance) C4'-P energy: -34.368
bonds (distance) P-C4' energy: -31.220
flat angles C4'-P-C4' energy: -31.126
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -35.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -463.787774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.787774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.787774 (E_RNA)
where:
Base-Base interactions energy: -305.140
where: short stacking energy: -114.560
Base-Backbone interact. energy: 0.420
local terms energy: -159.067614
where:
bonds (distance) C4'-P energy: -29.752
bonds (distance) P-C4' energy: -42.893
flat angles C4'-P-C4' energy: -34.398
flat angles P-C4'-P energy: -20.411
tors. eta vs tors. theta energy: -31.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -309.969162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.969162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.969162 (E_RNA)
where:
Base-Base interactions energy: -171.531
where: short stacking energy: -97.397
Base-Backbone interact. energy: -0.281
local terms energy: -138.157131
where:
bonds (distance) C4'-P energy: -29.886
bonds (distance) P-C4' energy: -32.475
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -24.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -261.286204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.286204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.286204 (E_RNA)
where:
Base-Base interactions energy: -135.160
where: short stacking energy: -79.774
Base-Backbone interact. energy: -0.890
local terms energy: -125.236551
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -30.421
flat angles C4'-P-C4' energy: -38.727
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: -13.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -296.222105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.222105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.222105 (E_RNA)
where:
Base-Base interactions energy: -172.016
where: short stacking energy: -83.257
Base-Backbone interact. energy: -0.448
local terms energy: -123.757539
where:
bonds (distance) C4'-P energy: -32.463
bonds (distance) P-C4' energy: -28.350
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -17.495
tors. eta vs tors. theta energy: -19.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -205.570486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.570486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.570486 (E_RNA)
where:
Base-Base interactions energy: -99.615
where: short stacking energy: -52.042
Base-Backbone interact. energy: -0.124
local terms energy: -105.831032
where:
bonds (distance) C4'-P energy: -32.782
bonds (distance) P-C4' energy: -30.038
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -2.467
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: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -167.664460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.664460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.664460 (E_RNA)
where:
Base-Base interactions energy: -47.947
where: short stacking energy: -42.932
Base-Backbone interact. energy: -1.175
local terms energy: -118.542888
where:
bonds (distance) C4'-P energy: -31.795
bonds (distance) P-C4' energy: -32.148
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -12.717
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: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -176.100609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.100609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.100609 (E_RNA)
where:
Base-Base interactions energy: -59.886
where: short stacking energy: -57.632
Base-Backbone interact. energy: -0.737
local terms energy: -115.477704
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -31.289
flat angles C4'-P-C4' energy: -36.768
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -156.531319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.531319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.531319 (E_RNA)
where:
Base-Base interactions energy: -47.373
where: short stacking energy: -43.691
Base-Backbone interact. energy: 1.624
local terms energy: -110.782368
where:
bonds (distance) C4'-P energy: -28.854
bonds (distance) P-C4' energy: -33.642
flat angles C4'-P-C4' energy: -30.342
flat angles P-C4'-P energy: -18.791
tors. eta vs tors. theta energy: 0.847
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: 1, replica: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -528.857211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.857211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.857211 (E_RNA)
where:
Base-Base interactions energy: -349.678
where: short stacking energy: -161.896
Base-Backbone interact. energy: 1.592
local terms energy: -180.771281
where:
bonds (distance) C4'-P energy: -31.757
bonds (distance) P-C4' energy: -37.255
flat angles C4'-P-C4' energy: -38.168
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: -52.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -440.043083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.043083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.043083 (E_RNA)
where:
Base-Base interactions energy: -279.858
where: short stacking energy: -115.580
Base-Backbone interact. energy: -1.611
local terms energy: -158.574432
where:
bonds (distance) C4'-P energy: -25.986
bonds (distance) P-C4' energy: -34.873
flat angles C4'-P-C4' energy: -37.364
flat angles P-C4'-P energy: -23.983
tors. eta vs tors. theta energy: -36.369
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: 38
Temperature: 1.000000
Total energy: -444.944647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.944647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.944647 (E_RNA)
where:
Base-Base interactions energy: -279.200
where: short stacking energy: -124.963
Base-Backbone interact. energy: -1.009
local terms energy: -164.734992
where:
bonds (distance) C4'-P energy: -26.604
bonds (distance) P-C4' energy: -33.290
flat angles C4'-P-C4' energy: -41.212
flat angles P-C4'-P energy: -25.361
tors. eta vs tors. theta energy: -38.269
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: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -344.141921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.141921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.141921 (E_RNA)
where:
Base-Base interactions energy: -177.368
where: short stacking energy: -111.135
Base-Backbone interact. energy: -0.444
local terms energy: -166.329646
where:
bonds (distance) C4'-P energy: -30.537
bonds (distance) P-C4' energy: -40.859
flat angles C4'-P-C4' energy: -31.688
flat angles P-C4'-P energy: -26.100
tors. eta vs tors. theta energy: -37.145
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: 38
Temperature: 1.100000
Total energy: -320.234454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.234454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.234454 (E_RNA)
where:
Base-Base interactions energy: -173.124
where: short stacking energy: -103.261
Base-Backbone interact. energy: -0.445
local terms energy: -146.665462
where:
bonds (distance) C4'-P energy: -25.027
bonds (distance) P-C4' energy: -40.456
flat angles C4'-P-C4' energy: -26.497
flat angles P-C4'-P energy: -22.665
tors. eta vs tors. theta energy: -32.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -248.439501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.439501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.439501 (E_RNA)
where:
Base-Base interactions energy: -117.050
where: short stacking energy: -63.678
Base-Backbone interact. energy: -2.126
local terms energy: -129.263122
where:
bonds (distance) C4'-P energy: -30.233
bonds (distance) P-C4' energy: -29.783
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -17.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -205.638616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.638616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.638616 (E_RNA)
where:
Base-Base interactions energy: -79.151
where: short stacking energy: -55.737
Base-Backbone interact. energy: -1.115
local terms energy: -125.372662
where:
bonds (distance) C4'-P energy: -35.579
bonds (distance) P-C4' energy: -37.925
flat angles C4'-P-C4' energy: -33.869
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -174.198276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.198276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.198276 (E_RNA)
where:
Base-Base interactions energy: -56.944
where: short stacking energy: -43.919
Base-Backbone interact. energy: -0.898
local terms energy: -116.356192
where:
bonds (distance) C4'-P energy: -36.097
bonds (distance) P-C4' energy: -31.089
flat angles C4'-P-C4' energy: -31.824
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -165.574027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.574027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.574027 (E_RNA)
where:
Base-Base interactions energy: -48.997
where: short stacking energy: -45.027
Base-Backbone interact. energy: -0.755
local terms energy: -115.822204
where:
bonds (distance) C4'-P energy: -33.838
bonds (distance) P-C4' energy: -23.857
flat angles C4'-P-C4' energy: -28.481
flat angles P-C4'-P energy: -22.976
tors. eta vs tors. theta energy: -6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -143.976303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.976303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.976303 (E_RNA)
where:
Base-Base interactions energy: -43.391
where: short stacking energy: -30.369
Base-Backbone interact. energy: -0.467
local terms energy: -100.118257
where:
bonds (distance) C4'-P energy: -34.194
bonds (distance) P-C4' energy: -30.082
flat angles C4'-P-C4' energy: -31.051
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: 14.791
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: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -533.432805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.432805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.432805 (E_RNA)
where:
Base-Base interactions energy: -346.895
where: short stacking energy: -158.508
Base-Backbone interact. energy: -0.317
local terms energy: -186.220455
where:
bonds (distance) C4'-P energy: -39.042
bonds (distance) P-C4' energy: -37.860
flat angles C4'-P-C4' energy: -42.652
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -48.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -485.350704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.350704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.350704 (E_RNA)
where:
Base-Base interactions energy: -314.044
where: short stacking energy: -124.928
Base-Backbone interact. energy: -1.834
local terms energy: -169.472278
where:
bonds (distance) C4'-P energy: -34.177
bonds (distance) P-C4' energy: -37.398
flat angles C4'-P-C4' energy: -36.065
flat angles P-C4'-P energy: -25.578
tors. eta vs tors. theta energy: -36.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -438.120474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.120474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.120474 (E_RNA)
where:
Base-Base interactions energy: -293.349
where: short stacking energy: -120.088
Base-Backbone interact. energy: -0.281
local terms energy: -144.490134
where:
bonds (distance) C4'-P energy: -33.182
bonds (distance) P-C4' energy: -30.467
flat angles C4'-P-C4' energy: -28.099
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -32.333
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: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -334.534833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.534833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.534833 (E_RNA)
where:
Base-Base interactions energy: -186.206
where: short stacking energy: -104.140
Base-Backbone interact. energy: -2.235
local terms energy: -146.093894
where:
bonds (distance) C4'-P energy: -31.493
bonds (distance) P-C4' energy: -35.069
flat angles C4'-P-C4' energy: -29.275
flat angles P-C4'-P energy: -22.480
tors. eta vs tors. theta energy: -27.777
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: 10
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -308.321468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.321468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.321468 (E_RNA)
where:
Base-Base interactions energy: -163.175
where: short stacking energy: -91.100
Base-Backbone interact. energy: 0.184
local terms energy: -145.329840
where:
bonds (distance) C4'-P energy: -31.233
bonds (distance) P-C4' energy: -33.923
flat angles C4'-P-C4' energy: -31.470
flat angles P-C4'-P energy: -24.267
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -260.452975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.452975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.452975 (E_RNA)
where:
Base-Base interactions energy: -127.364
where: short stacking energy: -73.819
Base-Backbone interact. energy: -2.047
local terms energy: -131.041492
where:
bonds (distance) C4'-P energy: -28.609
bonds (distance) P-C4' energy: -35.293
flat angles C4'-P-C4' energy: -33.367
flat angles P-C4'-P energy: -25.572
tors. eta vs tors. theta energy: -8.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -176.492171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.492171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.492171 (E_RNA)
where:
Base-Base interactions energy: -78.811
where: short stacking energy: -35.229
Base-Backbone interact. energy: -0.917
local terms energy: -96.763759
where:
bonds (distance) C4'-P energy: -34.813
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -24.260
flat angles P-C4'-P energy: -20.880
tors. eta vs tors. theta energy: 5.484
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: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -163.967786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.967786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.967786 (E_RNA)
where:
Base-Base interactions energy: -60.793
where: short stacking energy: -48.957
Base-Backbone interact. energy: -1.582
local terms energy: -101.591902
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -29.670
flat angles C4'-P-C4' energy: -32.615
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -156.050701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.050701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.050701 (E_RNA)
where:
Base-Base interactions energy: -54.288
where: short stacking energy: -43.721
Base-Backbone interact. energy: 3.677
local terms energy: -105.440651
where:
bonds (distance) C4'-P energy: -35.518
bonds (distance) P-C4' energy: -29.091
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -19.178
tors. eta vs tors. theta energy: -2.248
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: 39
Temperature: 1.350000
Total energy: -138.962720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.962720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.962720 (E_RNA)
where:
Base-Base interactions energy: -44.831
where: short stacking energy: -43.561
Base-Backbone interact. energy: -0.430
local terms energy: -93.701417
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -33.507
flat angles C4'-P-C4' energy: -27.900
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: 1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -490.870694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.870694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.870694 (E_RNA)
where:
Base-Base interactions energy: -323.154
where: short stacking energy: -135.217
Base-Backbone interact. energy: -1.125
local terms energy: -166.591316
where:
bonds (distance) C4'-P energy: -32.629
bonds (distance) P-C4' energy: -38.326
flat angles C4'-P-C4' energy: -37.432
flat angles P-C4'-P energy: -26.531
tors. eta vs tors. theta energy: -31.673
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: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -512.757702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.757702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.757702 (E_RNA)
where:
Base-Base interactions energy: -324.644
where: short stacking energy: -155.323
Base-Backbone interact. energy: -0.986
local terms energy: -187.128579
where:
bonds (distance) C4'-P energy: -30.452
bonds (distance) P-C4' energy: -40.051
flat angles C4'-P-C4' energy: -38.343
flat angles P-C4'-P energy: -27.968
tors. eta vs tors. theta energy: -50.315
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: 3, replica: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -434.980342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.980342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.980342 (E_RNA)
where:
Base-Base interactions energy: -274.192
where: short stacking energy: -113.457
Base-Backbone interact. energy: -1.542
local terms energy: -159.245841
where:
bonds (distance) C4'-P energy: -31.788
bonds (distance) P-C4' energy: -31.669
flat angles C4'-P-C4' energy: -35.157
flat angles P-C4'-P energy: -22.517
tors. eta vs tors. theta energy: -38.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -354.583545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.583545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.583545 (E_RNA)
where:
Base-Base interactions energy: -212.952
where: short stacking energy: -109.266
Base-Backbone interact. energy: 0.030
local terms energy: -141.661384
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -33.469
flat angles C4'-P-C4' energy: -33.294
flat angles P-C4'-P energy: -21.115
tors. eta vs tors. theta energy: -26.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -303.590947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.590947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.590947 (E_RNA)
where:
Base-Base interactions energy: -163.557
where: short stacking energy: -77.979
Base-Backbone interact. energy: -1.758
local terms energy: -138.276154
where:
bonds (distance) C4'-P energy: -33.829
bonds (distance) P-C4' energy: -37.624
flat angles C4'-P-C4' energy: -29.464
flat angles P-C4'-P energy: -20.197
tors. eta vs tors. theta energy: -17.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -296.241934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.241934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.241934 (E_RNA)
where:
Base-Base interactions energy: -165.722
where: short stacking energy: -99.924
Base-Backbone interact. energy: -0.199
local terms energy: -130.321163
where:
bonds (distance) C4'-P energy: -36.813
bonds (distance) P-C4' energy: -33.472
flat angles C4'-P-C4' energy: -29.749
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -22.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -192.132004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.132004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.132004 (E_RNA)
where:
Base-Base interactions energy: -66.395
where: short stacking energy: -53.912
Base-Backbone interact. energy: -0.279
local terms energy: -125.457990
where:
bonds (distance) C4'-P energy: -33.133
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -37.869
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: -4.530
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: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -163.376977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.376977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.376977 (E_RNA)
where:
Base-Base interactions energy: -49.581
where: short stacking energy: -41.931
Base-Backbone interact. energy: -0.576
local terms energy: -113.220271
where:
bonds (distance) C4'-P energy: -24.108
bonds (distance) P-C4' energy: -38.184
flat angles C4'-P-C4' energy: -26.138
flat angles P-C4'-P energy: -20.796
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -151.655098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.655098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.655098 (E_RNA)
where:
Base-Base interactions energy: -46.365
where: short stacking energy: -41.261
Base-Backbone interact. energy: 3.270
local terms energy: -108.559855
where:
bonds (distance) C4'-P energy: -29.624
bonds (distance) P-C4' energy: -34.918
flat angles C4'-P-C4' energy: -35.844
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: 2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -152.938209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.938209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.938209 (E_RNA)
where:
Base-Base interactions energy: -51.233
where: short stacking energy: -41.287
Base-Backbone interact. energy: 2.313
local terms energy: -104.017568
where:
bonds (distance) C4'-P energy: -31.800
bonds (distance) P-C4' energy: -28.893
flat angles C4'-P-C4' energy: -27.260
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: 4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -496.425724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.425724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.425724 (E_RNA)
where:
Base-Base interactions energy: -328.941
where: short stacking energy: -128.333
Base-Backbone interact. energy: -0.759
local terms energy: -166.725214
where:
bonds (distance) C4'-P energy: -33.137
bonds (distance) P-C4' energy: -39.672
flat angles C4'-P-C4' energy: -34.777
flat angles P-C4'-P energy: -24.014
tors. eta vs tors. theta energy: -35.125
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: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -525.932892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.932892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.932892 (E_RNA)
where:
Base-Base interactions energy: -341.355
where: short stacking energy: -162.313
Base-Backbone interact. energy: -0.200
local terms energy: -184.377861
where:
bonds (distance) C4'-P energy: -30.702
bonds (distance) P-C4' energy: -34.868
flat angles C4'-P-C4' energy: -41.318
flat angles P-C4'-P energy: -25.318
tors. eta vs tors. theta energy: -52.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -414.437758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.437758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.437758 (E_RNA)
where:
Base-Base interactions energy: -272.359
where: short stacking energy: -112.528
Base-Backbone interact. energy: 1.147
local terms energy: -143.225740
where:
bonds (distance) C4'-P energy: -28.741
bonds (distance) P-C4' energy: -35.298
flat angles C4'-P-C4' energy: -27.830
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: -32.047
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: 8
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -338.486624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.486624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.486624 (E_RNA)
where:
Base-Base interactions energy: -182.861
where: short stacking energy: -100.080
Base-Backbone interact. energy: 0.474
local terms energy: -156.100248
where:
bonds (distance) C4'-P energy: -31.330
bonds (distance) P-C4' energy: -40.239
flat angles C4'-P-C4' energy: -36.105
flat angles P-C4'-P energy: -22.067
tors. eta vs tors. theta energy: -26.358
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: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -302.439332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.439332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.439332 (E_RNA)
where:
Base-Base interactions energy: -172.980
where: short stacking energy: -98.847
Base-Backbone interact. energy: -0.210
local terms energy: -129.249250
where:
bonds (distance) C4'-P energy: -31.408
bonds (distance) P-C4' energy: -35.615
flat angles C4'-P-C4' energy: -32.271
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -15.497
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: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -263.973099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.973099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.973099 (E_RNA)
where:
Base-Base interactions energy: -133.790
where: short stacking energy: -88.432
Base-Backbone interact. energy: -0.367
local terms energy: -129.815827
where:
bonds (distance) C4'-P energy: -30.095
bonds (distance) P-C4' energy: -30.188
flat angles C4'-P-C4' energy: -31.219
flat angles P-C4'-P energy: -21.520
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -195.170660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.170660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.170660 (E_RNA)
where:
Base-Base interactions energy: -63.932
where: short stacking energy: -44.879
Base-Backbone interact. energy: -1.364
local terms energy: -129.874510
where:
bonds (distance) C4'-P energy: -36.326
bonds (distance) P-C4' energy: -37.761
flat angles C4'-P-C4' energy: -32.815
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -183.848365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.848365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.848365 (E_RNA)
where:
Base-Base interactions energy: -57.334
where: short stacking energy: -51.198
Base-Backbone interact. energy: 0.124
local terms energy: -126.637568
where:
bonds (distance) C4'-P energy: -27.353
bonds (distance) P-C4' energy: -40.111
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -14.193
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: 5
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -142.318452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.318452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.318452 (E_RNA)
where:
Base-Base interactions energy: -40.457
where: short stacking energy: -36.463
Base-Backbone interact. energy: 0.435
local terms energy: -102.296640
where:
bonds (distance) C4'-P energy: -26.556
bonds (distance) P-C4' energy: -27.414
flat angles C4'-P-C4' energy: -28.817
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -2.357
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: 2
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -144.156382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.156382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.156382 (E_RNA)
where:
Base-Base interactions energy: -60.189
where: short stacking energy: -41.216
Base-Backbone interact. energy: -0.217
local terms energy: -83.750399
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -30.808
flat angles C4'-P-C4' energy: -24.782
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -527.105394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.105394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.105394 (E_RNA)
where:
Base-Base interactions energy: -340.373
where: short stacking energy: -150.985
Base-Backbone interact. energy: -0.212
local terms energy: -186.519897
where:
bonds (distance) C4'-P energy: -31.038
bonds (distance) P-C4' energy: -36.758
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -26.304
tors. eta vs tors. theta energy: -55.772
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: 42
Temperature: 0.950000
Total energy: -488.036117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.036117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.036117 (E_RNA)
where:
Base-Base interactions energy: -313.772
where: short stacking energy: -138.739
Base-Backbone interact. energy: -1.758
local terms energy: -172.506797
where:
bonds (distance) C4'-P energy: -37.648
bonds (distance) P-C4' energy: -36.710
flat angles C4'-P-C4' energy: -36.676
flat angles P-C4'-P energy: -21.397
tors. eta vs tors. theta energy: -40.076
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: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -395.156321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.156321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.156321 (E_RNA)
where:
Base-Base interactions energy: -256.931
where: short stacking energy: -119.952
Base-Backbone interact. energy: -0.028
local terms energy: -138.197221
where:
bonds (distance) C4'-P energy: -32.897
bonds (distance) P-C4' energy: -25.271
flat angles C4'-P-C4' energy: -31.832
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: -26.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -304.848887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.848887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.848887 (E_RNA)
where:
Base-Base interactions energy: -171.791
where: short stacking energy: -96.373
Base-Backbone interact. energy: -0.925
local terms energy: -132.132731
where:
bonds (distance) C4'-P energy: -27.069
bonds (distance) P-C4' energy: -33.596
flat angles C4'-P-C4' energy: -30.632
flat angles P-C4'-P energy: -22.342
tors. eta vs tors. theta energy: -18.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -278.392716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.392716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.392716 (E_RNA)
where:
Base-Base interactions energy: -148.571
where: short stacking energy: -72.352
Base-Backbone interact. energy: -0.197
local terms energy: -129.624633
where:
bonds (distance) C4'-P energy: -33.016
bonds (distance) P-C4' energy: -32.745
flat angles C4'-P-C4' energy: -29.526
flat angles P-C4'-P energy: -22.795
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -296.902991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.902991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.902991 (E_RNA)
where:
Base-Base interactions energy: -148.541
where: short stacking energy: -95.447
Base-Backbone interact. energy: 1.849
local terms energy: -150.210824
where:
bonds (distance) C4'-P energy: -33.686
bonds (distance) P-C4' energy: -37.513
flat angles C4'-P-C4' energy: -37.697
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -259.576192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.576192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.576192 (E_RNA)
where:
Base-Base interactions energy: -132.920
where: short stacking energy: -66.907
Base-Backbone interact. energy: 1.057
local terms energy: -127.713579
where:
bonds (distance) C4'-P energy: -33.172
bonds (distance) P-C4' energy: -29.025
flat angles C4'-P-C4' energy: -33.755
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -12.176
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: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -161.350408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.350408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.350408 (E_RNA)
where:
Base-Base interactions energy: -52.280
where: short stacking energy: -48.019
Base-Backbone interact. energy: -0.462
local terms energy: -108.608685
where:
bonds (distance) C4'-P energy: -26.949
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -21.849
tors. eta vs tors. theta energy: -1.561
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: 9, replica: 2
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -156.162286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.162286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.162286 (E_RNA)
where:
Base-Base interactions energy: -59.580
where: short stacking energy: -37.729
Base-Backbone interact. energy: -0.726
local terms energy: -95.856194
where:
bonds (distance) C4'-P energy: -29.054
bonds (distance) P-C4' energy: -34.040
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: 4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -145.018597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.018597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.018597 (E_RNA)
where:
Base-Base interactions energy: -42.951
where: short stacking energy: -39.268
Base-Backbone interact. energy: -2.833
local terms energy: -99.234781
where:
bonds (distance) C4'-P energy: -22.088
bonds (distance) P-C4' energy: -34.803
flat angles C4'-P-C4' energy: -31.818
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -1.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -532.757595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.757595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.757595 (E_RNA)
where:
Base-Base interactions energy: -337.030
where: short stacking energy: -170.483
Base-Backbone interact. energy: -0.064
local terms energy: -195.663955
where:
bonds (distance) C4'-P energy: -34.973
bonds (distance) P-C4' energy: -35.896
flat angles C4'-P-C4' energy: -40.072
flat angles P-C4'-P energy: -25.980
tors. eta vs tors. theta energy: -58.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -484.795562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.795562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.795562 (E_RNA)
where:
Base-Base interactions energy: -322.460
where: short stacking energy: -128.429
Base-Backbone interact. energy: 0.328
local terms energy: -162.663495
where:
bonds (distance) C4'-P energy: -35.538
bonds (distance) P-C4' energy: -32.588
flat angles C4'-P-C4' energy: -34.861
flat angles P-C4'-P energy: -31.627
tors. eta vs tors. theta energy: -28.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -405.885593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.885593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.885593 (E_RNA)
where:
Base-Base interactions energy: -255.531
where: short stacking energy: -120.166
Base-Backbone interact. energy: 2.877
local terms energy: -153.231588
where:
bonds (distance) C4'-P energy: -28.976
bonds (distance) P-C4' energy: -34.939
flat angles C4'-P-C4' energy: -30.346
flat angles P-C4'-P energy: -20.332
tors. eta vs tors. theta energy: -38.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -311.113759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.113759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.113759 (E_RNA)
where:
Base-Base interactions energy: -177.551
where: short stacking energy: -88.225
Base-Backbone interact. energy: 2.764
local terms energy: -136.326708
where:
bonds (distance) C4'-P energy: -31.839
bonds (distance) P-C4' energy: -36.211
flat angles C4'-P-C4' energy: -33.464
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -19.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -288.287758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.287758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.287758 (E_RNA)
where:
Base-Base interactions energy: -156.171
where: short stacking energy: -76.162
Base-Backbone interact. energy: -1.257
local terms energy: -130.860214
where:
bonds (distance) C4'-P energy: -27.597
bonds (distance) P-C4' energy: -38.945
flat angles C4'-P-C4' energy: -34.462
flat angles P-C4'-P energy: -19.085
tors. eta vs tors. theta energy: -10.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -259.379206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.379206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.379206 (E_RNA)
where:
Base-Base interactions energy: -138.325
where: short stacking energy: -81.961
Base-Backbone interact. energy: -0.638
local terms energy: -120.416075
where:
bonds (distance) C4'-P energy: -28.021
bonds (distance) P-C4' energy: -34.057
flat angles C4'-P-C4' energy: -27.324
flat angles P-C4'-P energy: -24.204
tors. eta vs tors. theta energy: -6.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -225.403605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.403605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.403605 (E_RNA)
where:
Base-Base interactions energy: -111.965
where: short stacking energy: -72.468
Base-Backbone interact. energy: 1.269
local terms energy: -114.707749
where:
bonds (distance) C4'-P energy: -32.509
bonds (distance) P-C4' energy: -29.084
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -10.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -159.994158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.994158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.994158 (E_RNA)
where:
Base-Base interactions energy: -46.908
where: short stacking energy: -46.814
Base-Backbone interact. energy: -0.710
local terms energy: -112.375308
where:
bonds (distance) C4'-P energy: -27.826
bonds (distance) P-C4' energy: -32.960
flat angles C4'-P-C4' energy: -31.628
flat angles P-C4'-P energy: -16.320
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -160.636532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.636532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.636532 (E_RNA)
where:
Base-Base interactions energy: -59.019
where: short stacking energy: -51.961
Base-Backbone interact. energy: -0.576
local terms energy: -101.041408
where:
bonds (distance) C4'-P energy: -29.156
bonds (distance) P-C4' energy: -38.464
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: 8.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -139.298957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.298957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.298957 (E_RNA)
where:
Base-Base interactions energy: -40.704
where: short stacking energy: -33.406
Base-Backbone interact. energy: 0.586
local terms energy: -99.180958
where:
bonds (distance) C4'-P energy: -31.911
bonds (distance) P-C4' energy: -28.825
flat angles C4'-P-C4' energy: -32.562
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: 10.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -502.708357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.708357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.708357 (E_RNA)
where:
Base-Base interactions energy: -338.755
where: short stacking energy: -132.394
Base-Backbone interact. energy: -0.572
local terms energy: -163.381500
where:
bonds (distance) C4'-P energy: -35.355
bonds (distance) P-C4' energy: -28.352
flat angles C4'-P-C4' energy: -37.327
flat angles P-C4'-P energy: -24.657
tors. eta vs tors. theta energy: -37.691
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: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -511.367073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.367073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.367073 (E_RNA)
where:
Base-Base interactions energy: -330.853
where: short stacking energy: -156.504
Base-Backbone interact. energy: -0.209
local terms energy: -180.304658
where:
bonds (distance) C4'-P energy: -34.979
bonds (distance) P-C4' energy: -34.022
flat angles C4'-P-C4' energy: -37.953
flat angles P-C4'-P energy: -23.186
tors. eta vs tors. theta energy: -50.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -400.887436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.887436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.887436 (E_RNA)
where:
Base-Base interactions energy: -248.490
where: short stacking energy: -131.961
Base-Backbone interact. energy: -1.026
local terms energy: -151.371728
where:
bonds (distance) C4'-P energy: -32.136
bonds (distance) P-C4' energy: -32.831
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -22.495
tors. eta vs tors. theta energy: -33.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -349.465557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.465557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.465557 (E_RNA)
where:
Base-Base interactions energy: -193.685
where: short stacking energy: -116.152
Base-Backbone interact. energy: -0.990
local terms energy: -154.791149
where:
bonds (distance) C4'-P energy: -34.828
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -31.592
flat angles P-C4'-P energy: -27.524
tors. eta vs tors. theta energy: -28.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -260.489355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.489355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.489355 (E_RNA)
where:
Base-Base interactions energy: -128.656
where: short stacking energy: -81.797
Base-Backbone interact. energy: -1.571
local terms energy: -130.261827
where:
bonds (distance) C4'-P energy: -32.535
bonds (distance) P-C4' energy: -37.513
flat angles C4'-P-C4' energy: -20.863
flat angles P-C4'-P energy: -18.713
tors. eta vs tors. theta energy: -20.638
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: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -258.639351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.639351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.639351 (E_RNA)
where:
Base-Base interactions energy: -132.581
where: short stacking energy: -80.977
Base-Backbone interact. energy: -0.738
local terms energy: -125.319618
where:
bonds (distance) C4'-P energy: -31.745
bonds (distance) P-C4' energy: -35.883
flat angles C4'-P-C4' energy: -24.873
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -14.505
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: 44
Temperature: 1.200000
Total energy: -193.894712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.894712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.894712 (E_RNA)
where:
Base-Base interactions energy: -73.804
where: short stacking energy: -51.386
Base-Backbone interact. energy: -1.530
local terms energy: -118.560231
where:
bonds (distance) C4'-P energy: -32.289
bonds (distance) P-C4' energy: -32.577
flat angles C4'-P-C4' energy: -29.576
flat angles P-C4'-P energy: -20.763
tors. eta vs tors. theta energy: -3.355
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: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -184.875625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.875625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.875625 (E_RNA)
where:
Base-Base interactions energy: -81.285
where: short stacking energy: -68.186
Base-Backbone interact. energy: -0.248
local terms energy: -103.341855
where:
bonds (distance) C4'-P energy: -21.380
bonds (distance) P-C4' energy: -25.016
flat angles C4'-P-C4' energy: -23.606
flat angles P-C4'-P energy: -19.841
tors. eta vs tors. theta energy: -13.498
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: 5
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -158.248237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.248237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.248237 (E_RNA)
where:
Base-Base interactions energy: -49.768
where: short stacking energy: -46.420
Base-Backbone interact. energy: 3.086
local terms energy: -111.566900
where:
bonds (distance) C4'-P energy: -24.849
bonds (distance) P-C4' energy: -25.986
flat angles C4'-P-C4' energy: -36.912
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -153.949032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.949032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.949032 (E_RNA)
where:
Base-Base interactions energy: -51.969
where: short stacking energy: -37.688
Base-Backbone interact. energy: -0.635
local terms energy: -101.345322
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -33.846
flat angles C4'-P-C4' energy: -29.124
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: 0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -500.985807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.985807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.985807 (E_RNA)
where:
Base-Base interactions energy: -339.394
where: short stacking energy: -128.792
Base-Backbone interact. energy: -2.157
local terms energy: -159.435187
where:
bonds (distance) C4'-P energy: -32.226
bonds (distance) P-C4' energy: -28.686
flat angles C4'-P-C4' energy: -35.879
flat angles P-C4'-P energy: -28.435
tors. eta vs tors. theta energy: -34.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -507.428908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.428908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.428908 (E_RNA)
where:
Base-Base interactions energy: -341.211
where: short stacking energy: -156.679
Base-Backbone interact. energy: 1.449
local terms energy: -167.666640
where:
bonds (distance) C4'-P energy: -30.441
bonds (distance) P-C4' energy: -35.245
flat angles C4'-P-C4' energy: -34.059
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -49.119
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: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -414.617633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.617633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.617633 (E_RNA)
where:
Base-Base interactions energy: -267.101
where: short stacking energy: -129.626
Base-Backbone interact. energy: -1.391
local terms energy: -146.126428
where:
bonds (distance) C4'-P energy: -32.418
bonds (distance) P-C4' energy: -27.901
flat angles C4'-P-C4' energy: -34.219
flat angles P-C4'-P energy: -18.437
tors. eta vs tors. theta energy: -33.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -327.615164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.615164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.615164 (E_RNA)
where:
Base-Base interactions energy: -177.644
where: short stacking energy: -99.150
Base-Backbone interact. energy: -0.323
local terms energy: -149.648488
where:
bonds (distance) C4'-P energy: -39.685
bonds (distance) P-C4' energy: -26.755
flat angles C4'-P-C4' energy: -34.941
flat angles P-C4'-P energy: -18.262
tors. eta vs tors. theta energy: -30.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -306.825750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.825750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.825750 (E_RNA)
where:
Base-Base interactions energy: -172.935
where: short stacking energy: -78.617
Base-Backbone interact. energy: -0.514
local terms energy: -133.376635
where:
bonds (distance) C4'-P energy: -27.853
bonds (distance) P-C4' energy: -33.748
flat angles C4'-P-C4' energy: -32.632
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -197.373619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.373619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.373619 (E_RNA)
where:
Base-Base interactions energy: -72.645
where: short stacking energy: -53.133
Base-Backbone interact. energy: 2.709
local terms energy: -127.437079
where:
bonds (distance) C4'-P energy: -35.593
bonds (distance) P-C4' energy: -36.405
flat angles C4'-P-C4' energy: -33.820
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -6.131
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: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -222.846982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.846982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.846982 (E_RNA)
where:
Base-Base interactions energy: -99.905
where: short stacking energy: -61.228
Base-Backbone interact. energy: -0.490
local terms energy: -122.451755
where:
bonds (distance) C4'-P energy: -30.792
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -32.293
flat angles P-C4'-P energy: -26.506
tors. eta vs tors. theta energy: -10.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -169.818337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.818337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.818337 (E_RNA)
where:
Base-Base interactions energy: -59.304
where: short stacking energy: -48.252
Base-Backbone interact. energy: -0.527
local terms energy: -109.987647
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -33.790
flat angles C4'-P-C4' energy: -32.559
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: 1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -163.230287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.230287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.230287 (E_RNA)
where:
Base-Base interactions energy: -55.270
where: short stacking energy: -53.571
Base-Backbone interact. energy: 0.854
local terms energy: -108.814335
where:
bonds (distance) C4'-P energy: -31.631
bonds (distance) P-C4' energy: -29.432
flat angles C4'-P-C4' energy: -30.800
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -0.570
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: 10, replica: 2
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -146.430934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.430934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.430934 (E_RNA)
where:
Base-Base interactions energy: -47.337
where: short stacking energy: -40.197
Base-Backbone interact. energy: 0.287
local terms energy: -99.380428
where:
bonds (distance) C4'-P energy: -26.856
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -30.592
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -4.682
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: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -524.594264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.594264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.594264 (E_RNA)
where:
Base-Base interactions energy: -367.329
where: short stacking energy: -145.431
Base-Backbone interact. energy: -2.145
local terms energy: -155.120578
where:
bonds (distance) C4'-P energy: -30.479
bonds (distance) P-C4' energy: -32.801
flat angles C4'-P-C4' energy: -28.824
flat angles P-C4'-P energy: -23.347
tors. eta vs tors. theta energy: -39.670
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: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -520.958990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.958990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.958990 (E_RNA)
where:
Base-Base interactions energy: -325.572
where: short stacking energy: -164.573
Base-Backbone interact. energy: -1.364
local terms energy: -194.023654
where:
bonds (distance) C4'-P energy: -34.054
bonds (distance) P-C4' energy: -39.350
flat angles C4'-P-C4' energy: -43.271
flat angles P-C4'-P energy: -25.197
tors. eta vs tors. theta energy: -52.151
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: 3, replica: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -405.371933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.371933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.371933 (E_RNA)
where:
Base-Base interactions energy: -249.213
where: short stacking energy: -118.178
Base-Backbone interact. energy: 0.117
local terms energy: -156.275919
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -39.074
flat angles C4'-P-C4' energy: -33.790
flat angles P-C4'-P energy: -26.960
tors. eta vs tors. theta energy: -30.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -321.491803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.491803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.491803 (E_RNA)
where:
Base-Base interactions energy: -174.702
where: short stacking energy: -96.874
Base-Backbone interact. energy: -0.977
local terms energy: -145.812788
where:
bonds (distance) C4'-P energy: -38.834
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -30.182
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -30.310
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: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -311.629236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.629236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.629236 (E_RNA)
where:
Base-Base interactions energy: -191.058
where: short stacking energy: -78.292
Base-Backbone interact. energy: 2.588
local terms energy: -123.158468
where:
bonds (distance) C4'-P energy: -30.684
bonds (distance) P-C4' energy: -33.835
flat angles C4'-P-C4' energy: -26.379
flat angles P-C4'-P energy: -22.371
tors. eta vs tors. theta energy: -9.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -196.318306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.318306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.318306 (E_RNA)
where:
Base-Base interactions energy: -77.004
where: short stacking energy: -63.432
Base-Backbone interact. energy: -0.228
local terms energy: -119.086119
where:
bonds (distance) C4'-P energy: -33.230
bonds (distance) P-C4' energy: -36.159
flat angles C4'-P-C4' energy: -30.506
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -197.936733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.936733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.936733 (E_RNA)
where:
Base-Base interactions energy: -72.524
where: short stacking energy: -49.383
Base-Backbone interact. energy: -0.270
local terms energy: -125.142667
where:
bonds (distance) C4'-P energy: -29.581
bonds (distance) P-C4' energy: -35.695
flat angles C4'-P-C4' energy: -32.110
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -6.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -172.502674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.502674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.502674 (E_RNA)
where:
Base-Base interactions energy: -72.329
where: short stacking energy: -52.431
Base-Backbone interact. energy: -0.610
local terms energy: -99.564062
where:
bonds (distance) C4'-P energy: -24.568
bonds (distance) P-C4' energy: -30.597
flat angles C4'-P-C4' energy: -28.818
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -151.542571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.542571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.542571 (E_RNA)
where:
Base-Base interactions energy: -50.830
where: short stacking energy: -39.540
Base-Backbone interact. energy: -0.247
local terms energy: -100.465704
where:
bonds (distance) C4'-P energy: -28.269
bonds (distance) P-C4' energy: -31.499
flat angles C4'-P-C4' energy: -24.670
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -4.574
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: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -139.505634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.505634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.505634 (E_RNA)
where:
Base-Base interactions energy: -46.857
where: short stacking energy: -41.619
Base-Backbone interact. energy: 3.969
local terms energy: -96.617122
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -29.882
flat angles C4'-P-C4' energy: -25.934
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: 0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -515.922610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.922610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.922610 (E_RNA)
where:
Base-Base interactions energy: -349.934
where: short stacking energy: -135.147
Base-Backbone interact. energy: -1.405
local terms energy: -164.583838
where:
bonds (distance) C4'-P energy: -29.029
bonds (distance) P-C4' energy: -38.953
flat angles C4'-P-C4' energy: -35.150
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -38.815
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: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -509.629928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.629928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.629928 (E_RNA)
where:
Base-Base interactions energy: -338.645
where: short stacking energy: -154.241
Base-Backbone interact. energy: 0.427
local terms energy: -171.412059
where:
bonds (distance) C4'-P energy: -35.416
bonds (distance) P-C4' energy: -34.601
flat angles C4'-P-C4' energy: -31.035
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -51.891
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: 3, replica: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -412.704320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.704320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.704320 (E_RNA)
where:
Base-Base interactions energy: -267.759
where: short stacking energy: -113.322
Base-Backbone interact. energy: -0.665
local terms energy: -144.280955
where:
bonds (distance) C4'-P energy: -29.570
bonds (distance) P-C4' energy: -33.124
flat angles C4'-P-C4' energy: -26.903
flat angles P-C4'-P energy: -23.631
tors. eta vs tors. theta energy: -31.051
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: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -370.415327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.415327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.415327 (E_RNA)
where:
Base-Base interactions energy: -223.651
where: short stacking energy: -114.708
Base-Backbone interact. energy: -0.044
local terms energy: -146.719897
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -36.047
flat angles C4'-P-C4' energy: -29.213
flat angles P-C4'-P energy: -21.722
tors. eta vs tors. theta energy: -28.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -299.145647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.145647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.145647 (E_RNA)
where:
Base-Base interactions energy: -162.662
where: short stacking energy: -87.069
Base-Backbone interact. energy: 0.567
local terms energy: -137.050955
where:
bonds (distance) C4'-P energy: -27.701
bonds (distance) P-C4' energy: -36.615
flat angles C4'-P-C4' energy: -28.414
flat angles P-C4'-P energy: -23.243
tors. eta vs tors. theta energy: -21.078
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: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -210.391764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.391764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.391764 (E_RNA)
where:
Base-Base interactions energy: -91.399
where: short stacking energy: -69.577
Base-Backbone interact. energy: 1.073
local terms energy: -120.065413
where:
bonds (distance) C4'-P energy: -29.961
bonds (distance) P-C4' energy: -35.065
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -10.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -181.874148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.874148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.874148 (E_RNA)
where:
Base-Base interactions energy: -63.314
where: short stacking energy: -49.729
Base-Backbone interact. energy: -0.514
local terms energy: -118.046508
where:
bonds (distance) C4'-P energy: -28.315
bonds (distance) P-C4' energy: -32.418
flat angles C4'-P-C4' energy: -35.069
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -7.592
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: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -164.202282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.202282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.202282 (E_RNA)
where:
Base-Base interactions energy: -56.838
where: short stacking energy: -50.407
Base-Backbone interact. energy: -1.146
local terms energy: -106.217860
where:
bonds (distance) C4'-P energy: -30.481
bonds (distance) P-C4' energy: -30.857
flat angles C4'-P-C4' energy: -28.551
flat angles P-C4'-P energy: -17.951
tors. eta vs tors. theta energy: 1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -161.335169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.335169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.335169 (E_RNA)
where:
Base-Base interactions energy: -52.824
where: short stacking energy: -27.418
Base-Backbone interact. energy: -1.330
local terms energy: -107.181475
where:
bonds (distance) C4'-P energy: -31.064
bonds (distance) P-C4' energy: -34.680
flat angles C4'-P-C4' energy: -24.867
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: 0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -172.605155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.605155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.605155 (E_RNA)
where:
Base-Base interactions energy: -47.562
where: short stacking energy: -40.311
Base-Backbone interact. energy: -0.379
local terms energy: -124.663670
where:
bonds (distance) C4'-P energy: -34.198
bonds (distance) P-C4' energy: -34.032
flat angles C4'-P-C4' energy: -27.136
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -516.435576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.435576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.435576 (E_RNA)
where:
Base-Base interactions energy: -335.379
where: short stacking energy: -149.107
Base-Backbone interact. energy: -0.116
local terms energy: -180.940748
where:
bonds (distance) C4'-P energy: -36.375
bonds (distance) P-C4' energy: -32.125
flat angles C4'-P-C4' energy: -37.778
flat angles P-C4'-P energy: -29.769
tors. eta vs tors. theta energy: -44.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -518.867605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.867605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.867605 (E_RNA)
where:
Base-Base interactions energy: -347.393
where: short stacking energy: -139.284
Base-Backbone interact. energy: -0.951
local terms energy: -170.523387
where:
bonds (distance) C4'-P energy: -39.497
bonds (distance) P-C4' energy: -36.597
flat angles C4'-P-C4' energy: -31.341
flat angles P-C4'-P energy: -25.736
tors. eta vs tors. theta energy: -37.352
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: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -369.504773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.504773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.504773 (E_RNA)
where:
Base-Base interactions energy: -218.593
where: short stacking energy: -102.514
Base-Backbone interact. energy: 1.050
local terms energy: -151.961652
where:
bonds (distance) C4'-P energy: -31.295
bonds (distance) P-C4' energy: -33.481
flat angles C4'-P-C4' energy: -31.574
flat angles P-C4'-P energy: -26.198
tors. eta vs tors. theta energy: -29.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -370.791373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.791373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.791373 (E_RNA)
where:
Base-Base interactions energy: -220.477
where: short stacking energy: -97.056
Base-Backbone interact. energy: -0.189
local terms energy: -150.124455
where:
bonds (distance) C4'-P energy: -30.805
bonds (distance) P-C4' energy: -35.039
flat angles C4'-P-C4' energy: -32.376
flat angles P-C4'-P energy: -25.137
tors. eta vs tors. theta energy: -26.767
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: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -291.708425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.708425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.708425 (E_RNA)
where:
Base-Base interactions energy: -157.364
where: short stacking energy: -83.306
Base-Backbone interact. energy: -0.541
local terms energy: -133.802948
where:
bonds (distance) C4'-P energy: -31.351
bonds (distance) P-C4' energy: -36.316
flat angles C4'-P-C4' energy: -28.005
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -211.993638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.993638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.993638 (E_RNA)
where:
Base-Base interactions energy: -101.604
where: short stacking energy: -66.412
Base-Backbone interact. energy: -0.522
local terms energy: -109.867382
where:
bonds (distance) C4'-P energy: -30.039
bonds (distance) P-C4' energy: -32.029
flat angles C4'-P-C4' energy: -30.269
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -7.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -199.162718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.162718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.162718 (E_RNA)
where:
Base-Base interactions energy: -70.043
where: short stacking energy: -70.043
Base-Backbone interact. energy: -0.027
local terms energy: -129.092012
where:
bonds (distance) C4'-P energy: -31.573
bonds (distance) P-C4' energy: -33.671
flat angles C4'-P-C4' energy: -31.957
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -11.334
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: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -184.983582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.983582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.983582 (E_RNA)
where:
Base-Base interactions energy: -90.581
where: short stacking energy: -44.197
Base-Backbone interact. energy: -1.332
local terms energy: -93.069853
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -32.161
flat angles C4'-P-C4' energy: -27.102
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -3.790
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: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -202.642955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.642955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.642955 (E_RNA)
where:
Base-Base interactions energy: -102.399
where: short stacking energy: -58.420
Base-Backbone interact. energy: 0.626
local terms energy: -100.870720
where:
bonds (distance) C4'-P energy: -31.698
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -25.192
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -9.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -144.921103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.921103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.921103 (E_RNA)
where:
Base-Base interactions energy: -41.332
where: short stacking energy: -32.095
Base-Backbone interact. energy: -0.662
local terms energy: -102.927249
where:
bonds (distance) C4'-P energy: -37.832
bonds (distance) P-C4' energy: -34.772
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: 1.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -518.546949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.546949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.546949 (E_RNA)
where:
Base-Base interactions energy: -339.446
where: short stacking energy: -151.120
Base-Backbone interact. energy: -0.516
local terms energy: -178.585150
where:
bonds (distance) C4'-P energy: -32.571
bonds (distance) P-C4' energy: -36.157
flat angles C4'-P-C4' energy: -36.657
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -54.017
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: 49
Temperature: 0.950000
Total energy: -503.270319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.270319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.270319 (E_RNA)
where:
Base-Base interactions energy: -348.726
where: short stacking energy: -136.462
Base-Backbone interact. energy: -0.825
local terms energy: -153.719817
where:
bonds (distance) C4'-P energy: -29.470
bonds (distance) P-C4' energy: -35.429
flat angles C4'-P-C4' energy: -35.908
flat angles P-C4'-P energy: -19.498
tors. eta vs tors. theta energy: -33.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -359.561796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.561796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.561796 (E_RNA)
where:
Base-Base interactions energy: -216.434
where: short stacking energy: -113.685
Base-Backbone interact. energy: -0.488
local terms energy: -142.639491
where:
bonds (distance) C4'-P energy: -32.083
bonds (distance) P-C4' energy: -34.099
flat angles C4'-P-C4' energy: -32.936
flat angles P-C4'-P energy: -18.196
tors. eta vs tors. theta energy: -25.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -387.377826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.377826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.377826 (E_RNA)
where:
Base-Base interactions energy: -234.057
where: short stacking energy: -108.549
Base-Backbone interact. energy: -0.115
local terms energy: -153.205836
where:
bonds (distance) C4'-P energy: -35.653
bonds (distance) P-C4' energy: -33.463
flat angles C4'-P-C4' energy: -31.633
flat angles P-C4'-P energy: -26.776
tors. eta vs tors. theta energy: -25.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -278.277290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.277290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.277290 (E_RNA)
where:
Base-Base interactions energy: -149.225
where: short stacking energy: -80.974
Base-Backbone interact. energy: -0.330
local terms energy: -128.722317
where:
bonds (distance) C4'-P energy: -28.248
bonds (distance) P-C4' energy: -38.477
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -21.220
tors. eta vs tors. theta energy: -19.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -241.007669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.007669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.007669 (E_RNA)
where:
Base-Base interactions energy: -104.369
where: short stacking energy: -63.103
Base-Backbone interact. energy: -1.277
local terms energy: -135.361828
where:
bonds (distance) C4'-P energy: -29.578
bonds (distance) P-C4' energy: -32.296
flat angles C4'-P-C4' energy: -28.714
flat angles P-C4'-P energy: -26.380
tors. eta vs tors. theta energy: -18.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -178.284541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.284541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.284541 (E_RNA)
where:
Base-Base interactions energy: -65.017
where: short stacking energy: -58.193
Base-Backbone interact. energy: -2.724
local terms energy: -110.543537
where:
bonds (distance) C4'-P energy: -27.354
bonds (distance) P-C4' energy: -38.912
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -223.877340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.877340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.877340 (E_RNA)
where:
Base-Base interactions energy: -107.803
where: short stacking energy: -67.138
Base-Backbone interact. energy: -0.130
local terms energy: -115.943929
where:
bonds (distance) C4'-P energy: -31.490
bonds (distance) P-C4' energy: -23.998
flat angles C4'-P-C4' energy: -30.446
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -150.759034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.759034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.759034 (E_RNA)
where:
Base-Base interactions energy: -55.993
where: short stacking energy: -45.183
Base-Backbone interact. energy: -0.351
local terms energy: -94.415578
where:
bonds (distance) C4'-P energy: -31.474
bonds (distance) P-C4' energy: -32.909
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: 9.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -151.724040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.724040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.724040 (E_RNA)
where:
Base-Base interactions energy: -38.553
where: short stacking energy: -29.206
Base-Backbone interact. energy: -0.188
local terms energy: -112.982791
where:
bonds (distance) C4'-P energy: -37.101
bonds (distance) P-C4' energy: -31.612
flat angles C4'-P-C4' energy: -26.279
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -501.831933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.831933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.831933 (E_RNA)
where:
Base-Base interactions energy: -342.120
where: short stacking energy: -119.504
Base-Backbone interact. energy: -0.601
local terms energy: -159.110568
where:
bonds (distance) C4'-P energy: -37.099
bonds (distance) P-C4' energy: -32.425
flat angles C4'-P-C4' energy: -36.458
flat angles P-C4'-P energy: -22.091
tors. eta vs tors. theta energy: -31.038
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: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -520.601940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.601940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.601940 (E_RNA)
where:
Base-Base interactions energy: -331.945
where: short stacking energy: -154.377
Base-Backbone interact. energy: -0.519
local terms energy: -188.137840
where:
bonds (distance) C4'-P energy: -33.252
bonds (distance) P-C4' energy: -37.729
flat angles C4'-P-C4' energy: -41.132
flat angles P-C4'-P energy: -27.976
tors. eta vs tors. theta energy: -48.049
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: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -381.381268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.381268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.381268 (E_RNA)
where:
Base-Base interactions energy: -224.721
where: short stacking energy: -109.309
Base-Backbone interact. energy: 0.530
local terms energy: -157.189774
where:
bonds (distance) C4'-P energy: -35.073
bonds (distance) P-C4' energy: -38.296
flat angles C4'-P-C4' energy: -27.720
flat angles P-C4'-P energy: -25.119
tors. eta vs tors. theta energy: -30.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -338.122110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.122110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.122110 (E_RNA)
where:
Base-Base interactions energy: -197.119
where: short stacking energy: -91.997
Base-Backbone interact. energy: -0.322
local terms energy: -140.680439
where:
bonds (distance) C4'-P energy: -36.675
bonds (distance) P-C4' energy: -36.366
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -19.445
tors. eta vs tors. theta energy: -16.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -304.695048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.695048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.695048 (E_RNA)
where:
Base-Base interactions energy: -178.721
where: short stacking energy: -92.734
Base-Backbone interact. energy: -1.453
local terms energy: -124.521291
where:
bonds (distance) C4'-P energy: -31.498
bonds (distance) P-C4' energy: -36.332
flat angles C4'-P-C4' energy: -29.195
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -196.456370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.456370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.456370 (E_RNA)
where:
Base-Base interactions energy: -79.746
where: short stacking energy: -51.070
Base-Backbone interact. energy: -0.265
local terms energy: -116.445488
where:
bonds (distance) C4'-P energy: -34.361
bonds (distance) P-C4' energy: -41.478
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -2.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -245.482863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.482863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.482863 (E_RNA)
where:
Base-Base interactions energy: -132.036
where: short stacking energy: -51.208
Base-Backbone interact. energy: 4.447
local terms energy: -117.894657
where:
bonds (distance) C4'-P energy: -30.879
bonds (distance) P-C4' energy: -34.673
flat angles C4'-P-C4' energy: -31.998
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -0.822
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: 8, replica: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -172.969898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.969898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.969898 (E_RNA)
where:
Base-Base interactions energy: -70.775
where: short stacking energy: -44.075
Base-Backbone interact. energy: 0.767
local terms energy: -102.961758
where:
bonds (distance) C4'-P energy: -28.830
bonds (distance) P-C4' energy: -33.022
flat angles C4'-P-C4' energy: -27.485
flat angles P-C4'-P energy: -22.373
tors. eta vs tors. theta energy: 8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -142.791448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.791448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.791448 (E_RNA)
where:
Base-Base interactions energy: -40.201
where: short stacking energy: -37.762
Base-Backbone interact. energy: 0.160
local terms energy: -102.750528
where:
bonds (distance) C4'-P energy: -34.006
bonds (distance) P-C4' energy: -32.766
flat angles C4'-P-C4' energy: -27.670
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: 5.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -158.899055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.899055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.899055 (E_RNA)
where:
Base-Base interactions energy: -65.710
where: short stacking energy: -32.255
Base-Backbone interact. energy: -0.870
local terms energy: -92.319355
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -32.235
flat angles C4'-P-C4' energy: -26.942
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: 1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -510.294031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.294031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.294031 (E_RNA)
where:
Base-Base interactions energy: -344.237
where: short stacking energy: -135.970
Base-Backbone interact. energy: -1.056
local terms energy: -165.000691
where:
bonds (distance) C4'-P energy: -36.471
bonds (distance) P-C4' energy: -38.595
flat angles C4'-P-C4' energy: -36.637
flat angles P-C4'-P energy: -16.923
tors. eta vs tors. theta energy: -36.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -517.922418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.922418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.922418 (E_RNA)
where:
Base-Base interactions energy: -349.637
where: short stacking energy: -160.231
Base-Backbone interact. energy: -0.156
local terms energy: -168.130182
where:
bonds (distance) C4'-P energy: -28.233
bonds (distance) P-C4' energy: -31.321
flat angles C4'-P-C4' energy: -38.411
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -50.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -368.736072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.736072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.736072 (E_RNA)
where:
Base-Base interactions energy: -213.635
where: short stacking energy: -103.887
Base-Backbone interact. energy: -1.303
local terms energy: -153.798053
where:
bonds (distance) C4'-P energy: -27.381
bonds (distance) P-C4' energy: -34.263
flat angles C4'-P-C4' energy: -38.784
flat angles P-C4'-P energy: -26.833
tors. eta vs tors. theta energy: -26.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -360.191536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.191536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.191536 (E_RNA)
where:
Base-Base interactions energy: -216.949
where: short stacking energy: -108.376
Base-Backbone interact. energy: 0.112
local terms energy: -143.354932
where:
bonds (distance) C4'-P energy: -25.559
bonds (distance) P-C4' energy: -31.742
flat angles C4'-P-C4' energy: -31.979
flat angles P-C4'-P energy: -22.067
tors. eta vs tors. theta energy: -32.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -262.130690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.130690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.130690 (E_RNA)
where:
Base-Base interactions energy: -129.885
where: short stacking energy: -66.512
Base-Backbone interact. energy: -2.284
local terms energy: -129.961914
where:
bonds (distance) C4'-P energy: -36.186
bonds (distance) P-C4' energy: -38.098
flat angles C4'-P-C4' energy: -26.977
flat angles P-C4'-P energy: -20.045
tors. eta vs tors. theta energy: -8.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -257.148112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.148112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.148112 (E_RNA)
where:
Base-Base interactions energy: -131.220
where: short stacking energy: -81.929
Base-Backbone interact. energy: -0.684
local terms energy: -125.245020
where:
bonds (distance) C4'-P energy: -26.866
bonds (distance) P-C4' energy: -38.496
flat angles C4'-P-C4' energy: -23.006
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -181.458859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.458859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.458859 (E_RNA)
where:
Base-Base interactions energy: -66.251
where: short stacking energy: -36.704
Base-Backbone interact. energy: -1.022
local terms energy: -114.185691
where:
bonds (distance) C4'-P energy: -30.873
bonds (distance) P-C4' energy: -36.973
flat angles C4'-P-C4' energy: -31.637
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: 5.441
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: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -185.744733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.744733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.744733 (E_RNA)
where:
Base-Base interactions energy: -65.780
where: short stacking energy: -44.570
Base-Backbone interact. energy: -0.085
local terms energy: -119.880417
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -37.106
flat angles C4'-P-C4' energy: -27.266
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: -9.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -148.786398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.786398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.786398 (E_RNA)
where:
Base-Base interactions energy: -57.322
where: short stacking energy: -35.504
Base-Backbone interact. energy: 2.360
local terms energy: -93.824243
where:
bonds (distance) C4'-P energy: -28.522
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -25.515
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -151.533280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.533280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.533280 (E_RNA)
where:
Base-Base interactions energy: -60.656
where: short stacking energy: -41.983
Base-Backbone interact. energy: -1.042
local terms energy: -89.835851
where:
bonds (distance) C4'-P energy: -27.635
bonds (distance) P-C4' energy: -31.822
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -12.751
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: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -540.847227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.847227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.847227 (E_RNA)
where:
Base-Base interactions energy: -340.977
where: short stacking energy: -165.840
Base-Backbone interact. energy: -0.007
local terms energy: -199.863492
where:
bonds (distance) C4'-P energy: -35.103
bonds (distance) P-C4' energy: -39.626
flat angles C4'-P-C4' energy: -41.612
flat angles P-C4'-P energy: -29.805
tors. eta vs tors. theta energy: -53.717
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: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -514.447366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.447366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.447366 (E_RNA)
where:
Base-Base interactions energy: -344.249
where: short stacking energy: -135.907
Base-Backbone interact. energy: 0.236
local terms energy: -170.433722
where:
bonds (distance) C4'-P energy: -32.950
bonds (distance) P-C4' energy: -36.743
flat angles C4'-P-C4' energy: -35.132
flat angles P-C4'-P energy: -27.958
tors. eta vs tors. theta energy: -37.651
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: 3, replica: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -401.357575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.357575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.357575 (E_RNA)
where:
Base-Base interactions energy: -254.821
where: short stacking energy: -99.114
Base-Backbone interact. energy: -0.718
local terms energy: -145.818609
where:
bonds (distance) C4'-P energy: -32.241
bonds (distance) P-C4' energy: -30.282
flat angles C4'-P-C4' energy: -30.006
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -32.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -351.468657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.468657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.468657 (E_RNA)
where:
Base-Base interactions energy: -231.221
where: short stacking energy: -115.250
Base-Backbone interact. energy: 0.329
local terms energy: -120.576350
where:
bonds (distance) C4'-P energy: -27.129
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -30.046
flat angles P-C4'-P energy: -14.675
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: 5, replica: 8
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -281.770705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.770705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.770705 (E_RNA)
where:
Base-Base interactions energy: -146.973
where: short stacking energy: -81.728
Base-Backbone interact. energy: 0.177
local terms energy: -134.974520
where:
bonds (distance) C4'-P energy: -28.024
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -31.664
flat angles P-C4'-P energy: -25.893
tors. eta vs tors. theta energy: -15.160
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: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -261.776612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.776612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.776612 (E_RNA)
where:
Base-Base interactions energy: -119.449
where: short stacking energy: -81.804
Base-Backbone interact. energy: -1.098
local terms energy: -141.229617
where:
bonds (distance) C4'-P energy: -27.454
bonds (distance) P-C4' energy: -39.236
flat angles C4'-P-C4' energy: -27.318
flat angles P-C4'-P energy: -20.905
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: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -174.428139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.428139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.428139 (E_RNA)
where:
Base-Base interactions energy: -48.449
where: short stacking energy: -49.006
Base-Backbone interact. energy: -0.310
local terms energy: -125.669142
where:
bonds (distance) C4'-P energy: -38.408
bonds (distance) P-C4' energy: -30.931
flat angles C4'-P-C4' energy: -26.979
flat angles P-C4'-P energy: -21.700
tors. eta vs tors. theta energy: -7.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -160.707553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.707553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.707553 (E_RNA)
where:
Base-Base interactions energy: -47.610
where: short stacking energy: -41.788
Base-Backbone interact. energy: -1.041
local terms energy: -112.056160
where:
bonds (distance) C4'-P energy: -35.356
bonds (distance) P-C4' energy: -34.898
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: -0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -155.734407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.734407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.734407 (E_RNA)
where:
Base-Base interactions energy: -60.510
where: short stacking energy: -42.314
Base-Backbone interact. energy: -1.556
local terms energy: -93.668495
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -29.556
flat angles C4'-P-C4' energy: -27.669
flat angles P-C4'-P energy: -20.286
tors. eta vs tors. theta energy: 10.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -160.646862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.646862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.646862 (E_RNA)
where:
Base-Base interactions energy: -44.321
where: short stacking energy: -27.032
Base-Backbone interact. energy: -0.343
local terms energy: -115.982736
where:
bonds (distance) C4'-P energy: -31.647
bonds (distance) P-C4' energy: -31.995
flat angles C4'-P-C4' energy: -31.518
flat angles P-C4'-P energy: -23.037
tors. eta vs tors. theta energy: 2.215
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: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -527.928458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.928458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.928458 (E_RNA)
where:
Base-Base interactions energy: -334.995
where: short stacking energy: -158.901
Base-Backbone interact. energy: 0.440
local terms energy: -193.373882
where:
bonds (distance) C4'-P energy: -33.584
bonds (distance) P-C4' energy: -32.657
flat angles C4'-P-C4' energy: -38.788
flat angles P-C4'-P energy: -31.595
tors. eta vs tors. theta energy: -56.750
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: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -514.515428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.515428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.515428 (E_RNA)
where:
Base-Base interactions energy: -346.381
where: short stacking energy: -151.335
Base-Backbone interact. energy: 0.451
local terms energy: -168.585391
where:
bonds (distance) C4'-P energy: -30.552
bonds (distance) P-C4' energy: -32.263
flat angles C4'-P-C4' energy: -37.708
flat angles P-C4'-P energy: -25.481
tors. eta vs tors. theta energy: -42.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -389.736970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.736970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.736970 (E_RNA)
where:
Base-Base interactions energy: -239.289
where: short stacking energy: -115.384
Base-Backbone interact. energy: 0.449
local terms energy: -150.896783
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -37.021
flat angles C4'-P-C4' energy: -39.256
flat angles P-C4'-P energy: -15.347
tors. eta vs tors. theta energy: -25.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -331.188108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.188108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.188108 (E_RNA)
where:
Base-Base interactions energy: -199.279
where: short stacking energy: -90.055
Base-Backbone interact. energy: -0.739
local terms energy: -131.170708
where:
bonds (distance) C4'-P energy: -25.824
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -34.832
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -22.174
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: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -302.164436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.164436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.164436 (E_RNA)
where:
Base-Base interactions energy: -161.190
where: short stacking energy: -94.010
Base-Backbone interact. energy: -0.464
local terms energy: -140.510317
where:
bonds (distance) C4'-P energy: -31.370
bonds (distance) P-C4' energy: -33.839
flat angles C4'-P-C4' energy: -38.323
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -22.564
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: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -263.189816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.189816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.189816 (E_RNA)
where:
Base-Base interactions energy: -146.841
where: short stacking energy: -81.852
Base-Backbone interact. energy: 1.137
local terms energy: -117.485964
where:
bonds (distance) C4'-P energy: -27.936
bonds (distance) P-C4' energy: -35.241
flat angles C4'-P-C4' energy: -26.945
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -10.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -190.930853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.930853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.930853 (E_RNA)
where:
Base-Base interactions energy: -63.697
where: short stacking energy: -63.446
Base-Backbone interact. energy: -0.192
local terms energy: -127.041284
where:
bonds (distance) C4'-P energy: -33.887
bonds (distance) P-C4' energy: -29.078
flat angles C4'-P-C4' energy: -26.400
flat angles P-C4'-P energy: -23.393
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -192.382803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.382803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.382803 (E_RNA)
where:
Base-Base interactions energy: -92.019
where: short stacking energy: -52.883
Base-Backbone interact. energy: -0.412
local terms energy: -99.951700
where:
bonds (distance) C4'-P energy: -19.463
bonds (distance) P-C4' energy: -29.634
flat angles C4'-P-C4' energy: -28.813
flat angles P-C4'-P energy: -19.141
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -165.255606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.255606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.255606 (E_RNA)
where:
Base-Base interactions energy: -61.452
where: short stacking energy: -44.820
Base-Backbone interact. energy: -1.024
local terms energy: -102.779100
where:
bonds (distance) C4'-P energy: -33.089
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -19.488
tors. eta vs tors. theta energy: -0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -148.271941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.271941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.271941 (E_RNA)
where:
Base-Base interactions energy: -59.976
where: short stacking energy: -33.176
Base-Backbone interact. energy: -0.378
local terms energy: -87.918288
where:
bonds (distance) C4'-P energy: -30.242
bonds (distance) P-C4' energy: -37.263
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: 6.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -524.669535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.669535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.669535 (E_RNA)
where:
Base-Base interactions energy: -342.193
where: short stacking energy: -180.753
Base-Backbone interact. energy: 0.422
local terms energy: -182.899174
where:
bonds (distance) C4'-P energy: -30.097
bonds (distance) P-C4' energy: -36.346
flat angles C4'-P-C4' energy: -36.643
flat angles P-C4'-P energy: -25.441
tors. eta vs tors. theta energy: -54.371
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: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -497.891708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.891708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.891708 (E_RNA)
where:
Base-Base interactions energy: -324.622
where: short stacking energy: -137.958
Base-Backbone interact. energy: -1.383
local terms energy: -171.886142
where:
bonds (distance) C4'-P energy: -33.621
bonds (distance) P-C4' energy: -34.094
flat angles C4'-P-C4' energy: -39.265
flat angles P-C4'-P energy: -27.942
tors. eta vs tors. theta energy: -36.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -432.317676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.317676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.317676 (E_RNA)
where:
Base-Base interactions energy: -266.350
where: short stacking energy: -112.647
Base-Backbone interact. energy: 2.024
local terms energy: -167.991702
where:
bonds (distance) C4'-P energy: -33.400
bonds (distance) P-C4' energy: -41.000
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -40.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -325.717141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.717141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.717141 (E_RNA)
where:
Base-Base interactions energy: -196.850
where: short stacking energy: -91.016
Base-Backbone interact. energy: 1.453
local terms energy: -130.320049
where:
bonds (distance) C4'-P energy: -28.636
bonds (distance) P-C4' energy: -31.756
flat angles C4'-P-C4' energy: -37.869
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -288.334706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.334706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.334706 (E_RNA)
where:
Base-Base interactions energy: -155.762
where: short stacking energy: -79.144
Base-Backbone interact. energy: -1.565
local terms energy: -131.007523
where:
bonds (distance) C4'-P energy: -33.166
bonds (distance) P-C4' energy: -40.076
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -261.074100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.074100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.074100 (E_RNA)
where:
Base-Base interactions energy: -140.480
where: short stacking energy: -70.116
Base-Backbone interact. energy: -0.468
local terms energy: -120.126110
where:
bonds (distance) C4'-P energy: -28.774
bonds (distance) P-C4' energy: -32.077
flat angles C4'-P-C4' energy: -32.850
flat angles P-C4'-P energy: -22.744
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -200.957806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.957806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.957806 (E_RNA)
where:
Base-Base interactions energy: -86.210
where: short stacking energy: -38.295
Base-Backbone interact. energy: -3.587
local terms energy: -111.161506
where:
bonds (distance) C4'-P energy: -32.098
bonds (distance) P-C4' energy: -32.694
flat angles C4'-P-C4' energy: -27.791
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -196.014980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.014980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.014980 (E_RNA)
where:
Base-Base interactions energy: -84.441
where: short stacking energy: -50.176
Base-Backbone interact. energy: -0.958
local terms energy: -110.616245
where:
bonds (distance) C4'-P energy: -32.044
bonds (distance) P-C4' energy: -28.786
flat angles C4'-P-C4' energy: -24.691
flat angles P-C4'-P energy: -22.669
tors. eta vs tors. theta energy: -2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -169.686984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.686984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.686984 (E_RNA)
where:
Base-Base interactions energy: -60.063
where: short stacking energy: -44.171
Base-Backbone interact. energy: -0.642
local terms energy: -108.981853
where:
bonds (distance) C4'-P energy: -35.210
bonds (distance) P-C4' energy: -29.530
flat angles C4'-P-C4' energy: -29.750
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: 4.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -150.047423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.047423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.047423 (E_RNA)
where:
Base-Base interactions energy: -43.310
where: short stacking energy: -40.185
Base-Backbone interact. energy: -0.372
local terms energy: -106.365945
where:
bonds (distance) C4'-P energy: -32.631
bonds (distance) P-C4' energy: -34.147
flat angles C4'-P-C4' energy: -29.458
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: 3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -523.009000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.009000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.009000 (E_RNA)
where:
Base-Base interactions energy: -330.035
where: short stacking energy: -163.216
Base-Backbone interact. energy: -0.081
local terms energy: -192.892648
where:
bonds (distance) C4'-P energy: -38.607
bonds (distance) P-C4' energy: -35.273
flat angles C4'-P-C4' energy: -38.766
flat angles P-C4'-P energy: -26.050
tors. eta vs tors. theta energy: -54.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -502.272745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.272745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.272745 (E_RNA)
where:
Base-Base interactions energy: -326.534
where: short stacking energy: -150.425
Base-Backbone interact. energy: -0.259
local terms energy: -175.479140
where:
bonds (distance) C4'-P energy: -32.745
bonds (distance) P-C4' energy: -37.142
flat angles C4'-P-C4' energy: -34.268
flat angles P-C4'-P energy: -26.185
tors. eta vs tors. theta energy: -45.139
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: 6
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -435.662896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.662896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.662896 (E_RNA)
where:
Base-Base interactions energy: -286.434
where: short stacking energy: -117.053
Base-Backbone interact. energy: -1.185
local terms energy: -148.043507
where:
bonds (distance) C4'-P energy: -32.023
bonds (distance) P-C4' energy: -35.975
flat angles C4'-P-C4' energy: -22.748
flat angles P-C4'-P energy: -25.102
tors. eta vs tors. theta energy: -32.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -365.031974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.031974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.031974 (E_RNA)
where:
Base-Base interactions energy: -218.087
where: short stacking energy: -108.668
Base-Backbone interact. energy: -0.500
local terms energy: -146.444721
where:
bonds (distance) C4'-P energy: -33.565
bonds (distance) P-C4' energy: -36.283
flat angles C4'-P-C4' energy: -32.324
flat angles P-C4'-P energy: -17.233
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: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -292.765636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.765636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.765636 (E_RNA)
where:
Base-Base interactions energy: -150.313
where: short stacking energy: -89.498
Base-Backbone interact. energy: 0.289
local terms energy: -142.741588
where:
bonds (distance) C4'-P energy: -27.871
bonds (distance) P-C4' energy: -32.287
flat angles C4'-P-C4' energy: -37.301
flat angles P-C4'-P energy: -18.443
tors. eta vs tors. theta energy: -26.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -293.695287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.695287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.695287 (E_RNA)
where:
Base-Base interactions energy: -152.411
where: short stacking energy: -89.796
Base-Backbone interact. energy: -0.446
local terms energy: -140.838718
where:
bonds (distance) C4'-P energy: -33.200
bonds (distance) P-C4' energy: -37.966
flat angles C4'-P-C4' energy: -28.766
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -23.379
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: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -223.984682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.984682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.984682 (E_RNA)
where:
Base-Base interactions energy: -101.735
where: short stacking energy: -66.887
Base-Backbone interact. energy: -1.218
local terms energy: -121.031104
where:
bonds (distance) C4'-P energy: -32.794
bonds (distance) P-C4' energy: -31.554
flat angles C4'-P-C4' energy: -30.752
flat angles P-C4'-P energy: -18.544
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -166.864220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.864220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.864220 (E_RNA)
where:
Base-Base interactions energy: -43.906
where: short stacking energy: -38.391
Base-Backbone interact. energy: 1.714
local terms energy: -124.672551
where:
bonds (distance) C4'-P energy: -30.381
bonds (distance) P-C4' energy: -32.644
flat angles C4'-P-C4' energy: -34.556
flat angles P-C4'-P energy: -20.366
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -167.772602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.772602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.772602 (E_RNA)
where:
Base-Base interactions energy: -72.862
where: short stacking energy: -53.435
Base-Backbone interact. energy: -0.406
local terms energy: -94.504666
where:
bonds (distance) C4'-P energy: -25.114
bonds (distance) P-C4' energy: -26.089
flat angles C4'-P-C4' energy: -29.639
flat angles P-C4'-P energy: -16.137
tors. eta vs tors. theta energy: 2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -156.024622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.024622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.024622 (E_RNA)
where:
Base-Base interactions energy: -47.256
where: short stacking energy: -38.309
Base-Backbone interact. energy: -1.309
local terms energy: -107.459256
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -33.981
flat angles C4'-P-C4' energy: -34.060
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -2.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -512.147191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.147191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.147191 (E_RNA)
where:
Base-Base interactions energy: -337.068
where: short stacking energy: -158.821
Base-Backbone interact. energy: -0.411
local terms energy: -174.667868
where:
bonds (distance) C4'-P energy: -35.383
bonds (distance) P-C4' energy: -32.768
flat angles C4'-P-C4' energy: -35.114
flat angles P-C4'-P energy: -25.713
tors. eta vs tors. theta energy: -45.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -510.006270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.006270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.006270 (E_RNA)
where:
Base-Base interactions energy: -326.241
where: short stacking energy: -150.609
Base-Backbone interact. energy: 0.267
local terms energy: -184.031592
where:
bonds (distance) C4'-P energy: -34.685
bonds (distance) P-C4' energy: -30.359
flat angles C4'-P-C4' energy: -39.106
flat angles P-C4'-P energy: -28.617
tors. eta vs tors. theta energy: -51.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -450.573824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.573824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.573824 (E_RNA)
where:
Base-Base interactions energy: -288.120
where: short stacking energy: -110.993
Base-Backbone interact. energy: -2.325
local terms energy: -160.128373
where:
bonds (distance) C4'-P energy: -33.346
bonds (distance) P-C4' energy: -38.687
flat angles C4'-P-C4' energy: -30.496
flat angles P-C4'-P energy: -27.870
tors. eta vs tors. theta energy: -29.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -365.359226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.359226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.359226 (E_RNA)
where:
Base-Base interactions energy: -226.302
where: short stacking energy: -104.160
Base-Backbone interact. energy: 0.186
local terms energy: -139.243447
where:
bonds (distance) C4'-P energy: -35.205
bonds (distance) P-C4' energy: -29.648
flat angles C4'-P-C4' energy: -30.374
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -29.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -305.225983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.225983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.225983 (E_RNA)
where:
Base-Base interactions energy: -165.180
where: short stacking energy: -104.570
Base-Backbone interact. energy: -0.372
local terms energy: -139.673788
where:
bonds (distance) C4'-P energy: -35.985
bonds (distance) P-C4' energy: -30.648
flat angles C4'-P-C4' energy: -36.846
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -266.737405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.737405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.737405 (E_RNA)
where:
Base-Base interactions energy: -145.007
where: short stacking energy: -81.694
Base-Backbone interact. energy: -2.215
local terms energy: -119.515623
where:
bonds (distance) C4'-P energy: -29.674
bonds (distance) P-C4' energy: -32.551
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -18.666
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -225.503087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.503087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.503087 (E_RNA)
where:
Base-Base interactions energy: -106.848
where: short stacking energy: -74.241
Base-Backbone interact. energy: -0.300
local terms energy: -118.354892
where:
bonds (distance) C4'-P energy: -28.746
bonds (distance) P-C4' energy: -25.858
flat angles C4'-P-C4' energy: -28.504
flat angles P-C4'-P energy: -18.706
tors. eta vs tors. theta energy: -16.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -163.858665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.858665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.858665 (E_RNA)
where:
Base-Base interactions energy: -50.900
where: short stacking energy: -39.577
Base-Backbone interact. energy: -0.969
local terms energy: -111.989973
where:
bonds (distance) C4'-P energy: -33.180
bonds (distance) P-C4' energy: -34.884
flat angles C4'-P-C4' energy: -28.796
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: 1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -150.888134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.888134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.888134 (E_RNA)
where:
Base-Base interactions energy: -42.628
where: short stacking energy: -40.047
Base-Backbone interact. energy: -0.534
local terms energy: -107.725828
where:
bonds (distance) C4'-P energy: -26.938
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -27.827
flat angles P-C4'-P energy: -24.686
tors. eta vs tors. theta energy: -2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -133.981813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.981813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.981813 (E_RNA)
where:
Base-Base interactions energy: -38.383
where: short stacking energy: -36.737
Base-Backbone interact. energy: -0.152
local terms energy: -95.446832
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -21.907
flat angles C4'-P-C4' energy: -27.718
flat angles P-C4'-P energy: -19.592
tors. eta vs tors. theta energy: 2.492
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: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -518.050161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.050161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.050161 (E_RNA)
where:
Base-Base interactions energy: -338.094
where: short stacking energy: -149.757
Base-Backbone interact. energy: -0.727
local terms energy: -179.229588
where:
bonds (distance) C4'-P energy: -34.096
bonds (distance) P-C4' energy: -38.990
flat angles C4'-P-C4' energy: -39.884
flat angles P-C4'-P energy: -25.589
tors. eta vs tors. theta energy: -40.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -518.756683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.756683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.756683 (E_RNA)
where:
Base-Base interactions energy: -341.090
where: short stacking energy: -162.147
Base-Backbone interact. energy: -0.634
local terms energy: -177.032979
where:
bonds (distance) C4'-P energy: -33.277
bonds (distance) P-C4' energy: -35.056
flat angles C4'-P-C4' energy: -33.365
flat angles P-C4'-P energy: -26.526
tors. eta vs tors. theta energy: -48.809
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: 6
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -413.855886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.855886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.855886 (E_RNA)
where:
Base-Base interactions energy: -265.166
where: short stacking energy: -110.147
Base-Backbone interact. energy: -0.300
local terms energy: -148.389269
where:
bonds (distance) C4'-P energy: -37.594
bonds (distance) P-C4' energy: -35.110
flat angles C4'-P-C4' energy: -29.473
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -29.129
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: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -335.440080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.440080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.440080 (E_RNA)
where:
Base-Base interactions energy: -192.095
where: short stacking energy: -87.528
Base-Backbone interact. energy: -0.006
local terms energy: -143.339792
where:
bonds (distance) C4'-P energy: -37.953
bonds (distance) P-C4' energy: -27.673
flat angles C4'-P-C4' energy: -31.422
flat angles P-C4'-P energy: -28.268
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -295.465910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.465910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.465910 (E_RNA)
where:
Base-Base interactions energy: -145.760
where: short stacking energy: -92.368
Base-Backbone interact. energy: 0.145
local terms energy: -149.851477
where:
bonds (distance) C4'-P energy: -30.759
bonds (distance) P-C4' energy: -40.016
flat angles C4'-P-C4' energy: -33.322
flat angles P-C4'-P energy: -23.821
tors. eta vs tors. theta energy: -21.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -252.300558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.300558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.300558 (E_RNA)
where:
Base-Base interactions energy: -123.060
where: short stacking energy: -80.952
Base-Backbone interact. energy: -0.466
local terms energy: -128.773849
where:
bonds (distance) C4'-P energy: -27.085
bonds (distance) P-C4' energy: -33.863
flat angles C4'-P-C4' energy: -32.647
flat angles P-C4'-P energy: -28.519
tors. eta vs tors. theta energy: -6.661
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: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -186.651315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.651315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.651315 (E_RNA)
where:
Base-Base interactions energy: -72.108
where: short stacking energy: -50.289
Base-Backbone interact. energy: -1.154
local terms energy: -113.389383
where:
bonds (distance) C4'-P energy: -29.638
bonds (distance) P-C4' energy: -40.699
flat angles C4'-P-C4' energy: -26.021
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -1.355
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: 2
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -162.141587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.141587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.141587 (E_RNA)
where:
Base-Base interactions energy: -50.622
where: short stacking energy: -47.317
Base-Backbone interact. energy: 2.351
local terms energy: -113.870999
where:
bonds (distance) C4'-P energy: -32.820
bonds (distance) P-C4' energy: -33.255
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -19.605
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -153.898535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.898535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.898535 (E_RNA)
where:
Base-Base interactions energy: -50.813
where: short stacking energy: -38.286
Base-Backbone interact. energy: 0.633
local terms energy: -103.719296
where:
bonds (distance) C4'-P energy: -32.990
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: 1.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -141.803793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.803793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.803793 (E_RNA)
where:
Base-Base interactions energy: -45.716
where: short stacking energy: -22.746
Base-Backbone interact. energy: -0.442
local terms energy: -95.645857
where:
bonds (distance) C4'-P energy: -27.304
bonds (distance) P-C4' energy: -26.551
flat angles C4'-P-C4' energy: -29.385
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: 4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -532.548524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.548524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.548524 (E_RNA)
where:
Base-Base interactions energy: -347.196
where: short stacking energy: -162.873
Base-Backbone interact. energy: -0.190
local terms energy: -185.163387
where:
bonds (distance) C4'-P energy: -32.710
bonds (distance) P-C4' energy: -38.392
flat angles C4'-P-C4' energy: -38.148
flat angles P-C4'-P energy: -22.149
tors. eta vs tors. theta energy: -53.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -516.894949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.894949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.894949 (E_RNA)
where:
Base-Base interactions energy: -344.908
where: short stacking energy: -128.489
Base-Backbone interact. energy: -0.965
local terms energy: -171.022190
where:
bonds (distance) C4'-P energy: -34.273
bonds (distance) P-C4' energy: -38.788
flat angles C4'-P-C4' energy: -35.078
flat angles P-C4'-P energy: -25.029
tors. eta vs tors. theta energy: -37.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -442.121579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.121579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.121579 (E_RNA)
where:
Base-Base interactions energy: -298.813
where: short stacking energy: -145.623
Base-Backbone interact. energy: -0.587
local terms energy: -142.721340
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -33.449
flat angles P-C4'-P energy: -19.348
tors. eta vs tors. theta energy: -43.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -336.500158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.500158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.500158 (E_RNA)
where:
Base-Base interactions energy: -195.142
where: short stacking energy: -84.880
Base-Backbone interact. energy: -0.325
local terms energy: -141.032912
where:
bonds (distance) C4'-P energy: -35.622
bonds (distance) P-C4' energy: -34.696
flat angles C4'-P-C4' energy: -28.329
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: -21.199
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: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -282.236707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.236707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.236707 (E_RNA)
where:
Base-Base interactions energy: -138.085
where: short stacking energy: -83.766
Base-Backbone interact. energy: -0.813
local terms energy: -143.337862
where:
bonds (distance) C4'-P energy: -37.619
bonds (distance) P-C4' energy: -36.024
flat angles C4'-P-C4' energy: -33.580
flat angles P-C4'-P energy: -23.724
tors. eta vs tors. theta energy: -12.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -258.588891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.588891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.588891 (E_RNA)
where:
Base-Base interactions energy: -123.899
where: short stacking energy: -67.154
Base-Backbone interact. energy: -0.578
local terms energy: -134.111956
where:
bonds (distance) C4'-P energy: -33.949
bonds (distance) P-C4' energy: -37.005
flat angles C4'-P-C4' energy: -30.024
flat angles P-C4'-P energy: -14.770
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: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -179.892067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.892067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.892067 (E_RNA)
where:
Base-Base interactions energy: -54.841
where: short stacking energy: -54.841
Base-Backbone interact. energy: 0.923
local terms energy: -125.973683
where:
bonds (distance) C4'-P energy: -35.581
bonds (distance) P-C4' energy: -30.798
flat angles C4'-P-C4' energy: -35.018
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -7.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -174.599468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.599468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.599468 (E_RNA)
where:
Base-Base interactions energy: -60.058
where: short stacking energy: -47.556
Base-Backbone interact. energy: -0.555
local terms energy: -113.986045
where:
bonds (distance) C4'-P energy: -34.525
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -28.207
flat angles P-C4'-P energy: -22.302
tors. eta vs tors. theta energy: -4.138
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: 5
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -148.099593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.099593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.099593 (E_RNA)
where:
Base-Base interactions energy: -32.945
where: short stacking energy: -29.989
Base-Backbone interact. energy: 0.316
local terms energy: -115.470726
where:
bonds (distance) C4'-P energy: -36.410
bonds (distance) P-C4' energy: -39.562
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -162.678143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.678143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.678143 (E_RNA)
where:
Base-Base interactions energy: -82.250
where: short stacking energy: -42.386
Base-Backbone interact. energy: -0.261
local terms energy: -80.167692
where:
bonds (distance) C4'-P energy: -31.542
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: 0.126
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: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -529.515729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.515729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.515729 (E_RNA)
where:
Base-Base interactions energy: -334.519
where: short stacking energy: -161.171
Base-Backbone interact. energy: 0.165
local terms energy: -195.161739
where:
bonds (distance) C4'-P energy: -30.711
bonds (distance) P-C4' energy: -38.832
flat angles C4'-P-C4' energy: -42.320
flat angles P-C4'-P energy: -27.668
tors. eta vs tors. theta energy: -55.630
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: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -522.029914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.029914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.029914 (E_RNA)
where:
Base-Base interactions energy: -345.898
where: short stacking energy: -137.737
Base-Backbone interact. energy: 1.206
local terms energy: -177.337060
where:
bonds (distance) C4'-P energy: -39.104
bonds (distance) P-C4' energy: -34.547
flat angles C4'-P-C4' energy: -37.017
flat angles P-C4'-P energy: -28.467
tors. eta vs tors. theta energy: -38.203
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: 6
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -432.270136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.270136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.270136 (E_RNA)
where:
Base-Base interactions energy: -282.025
where: short stacking energy: -124.369
Base-Backbone interact. energy: 0.928
local terms energy: -151.172380
where:
bonds (distance) C4'-P energy: -29.151
bonds (distance) P-C4' energy: -32.311
flat angles C4'-P-C4' energy: -41.736
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -32.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -318.215793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.215793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.215793 (E_RNA)
where:
Base-Base interactions energy: -182.177
where: short stacking energy: -92.018
Base-Backbone interact. energy: -1.283
local terms energy: -134.755757
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -32.634
flat angles C4'-P-C4' energy: -30.264
flat angles P-C4'-P energy: -27.913
tors. eta vs tors. theta energy: -14.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -290.296452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.296452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.296452 (E_RNA)
where:
Base-Base interactions energy: -150.290
where: short stacking energy: -100.890
Base-Backbone interact. energy: -0.437
local terms energy: -139.569223
where:
bonds (distance) C4'-P energy: -35.477
bonds (distance) P-C4' energy: -28.801
flat angles C4'-P-C4' energy: -31.281
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -31.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -261.599566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.599566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.599566 (E_RNA)
where:
Base-Base interactions energy: -130.964
where: short stacking energy: -70.399
Base-Backbone interact. energy: -0.675
local terms energy: -129.960574
where:
bonds (distance) C4'-P energy: -30.362
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -19.030
tors. eta vs tors. theta energy: -19.599
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: 59
Temperature: 1.200000
Total energy: -196.627504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.627504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.627504 (E_RNA)
where:
Base-Base interactions energy: -84.530
where: short stacking energy: -53.418
Base-Backbone interact. energy: 0.852
local terms energy: -112.949022
where:
bonds (distance) C4'-P energy: -30.261
bonds (distance) P-C4' energy: -34.214
flat angles C4'-P-C4' energy: -24.826
flat angles P-C4'-P energy: -23.956
tors. eta vs tors. theta energy: 0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -174.416806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.416806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.416806 (E_RNA)
where:
Base-Base interactions energy: -85.020
where: short stacking energy: -44.233
Base-Backbone interact. energy: -1.161
local terms energy: -88.235227
where:
bonds (distance) C4'-P energy: -30.559
bonds (distance) P-C4' energy: -29.134
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: 0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -159.045415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.045415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.045415 (E_RNA)
where:
Base-Base interactions energy: -62.828
where: short stacking energy: -43.795
Base-Backbone interact. energy: -0.389
local terms energy: -95.828735
where:
bonds (distance) C4'-P energy: -34.105
bonds (distance) P-C4' energy: -27.983
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: 1.871
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: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -157.432479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.432479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.432479 (E_RNA)
where:
Base-Base interactions energy: -66.270
where: short stacking energy: -38.199
Base-Backbone interact. energy: 2.439
local terms energy: -93.601341
where:
bonds (distance) C4'-P energy: -27.504
bonds (distance) P-C4' energy: -32.062
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -19.534
tors. eta vs tors. theta energy: 1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -522.556395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.556395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.556395 (E_RNA)
where:
Base-Base interactions energy: -353.575
where: short stacking energy: -135.019
Base-Backbone interact. energy: 0.119
local terms energy: -169.100114
where:
bonds (distance) C4'-P energy: -38.541
bonds (distance) P-C4' energy: -35.174
flat angles C4'-P-C4' energy: -34.193
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: -41.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -502.264628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.264628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.264628 (E_RNA)
where:
Base-Base interactions energy: -327.050
where: short stacking energy: -150.286
Base-Backbone interact. energy: -0.199
local terms energy: -175.015938
where:
bonds (distance) C4'-P energy: -32.365
bonds (distance) P-C4' energy: -32.959
flat angles C4'-P-C4' energy: -31.832
flat angles P-C4'-P energy: -27.114
tors. eta vs tors. theta energy: -50.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -458.581575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.581575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.581575 (E_RNA)
where:
Base-Base interactions energy: -289.169
where: short stacking energy: -146.742
Base-Backbone interact. energy: -0.956
local terms energy: -168.455882
where:
bonds (distance) C4'-P energy: -33.822
bonds (distance) P-C4' energy: -33.509
flat angles C4'-P-C4' energy: -38.277
flat angles P-C4'-P energy: -21.493
tors. eta vs tors. theta energy: -41.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -338.805052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.805052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.805052 (E_RNA)
where:
Base-Base interactions energy: -207.384
where: short stacking energy: -108.968
Base-Backbone interact. energy: 0.612
local terms energy: -132.032629
where:
bonds (distance) C4'-P energy: -34.525
bonds (distance) P-C4' energy: -30.243
flat angles C4'-P-C4' energy: -31.718
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -23.704
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: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -278.686296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.686296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.686296 (E_RNA)
where:
Base-Base interactions energy: -139.068
where: short stacking energy: -90.829
Base-Backbone interact. energy: -0.214
local terms energy: -139.404414
where:
bonds (distance) C4'-P energy: -26.296
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -32.968
flat angles P-C4'-P energy: -20.504
tors. eta vs tors. theta energy: -27.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -279.795636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.795636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.795636 (E_RNA)
where:
Base-Base interactions energy: -149.639
where: short stacking energy: -80.992
Base-Backbone interact. energy: -0.147
local terms energy: -130.009456
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -26.238
flat angles C4'-P-C4' energy: -36.209
flat angles P-C4'-P energy: -19.391
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -260.655044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.655044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.655044 (E_RNA)
where:
Base-Base interactions energy: -139.242
where: short stacking energy: -68.930
Base-Backbone interact. energy: 2.260
local terms energy: -123.672681
where:
bonds (distance) C4'-P energy: -26.928
bonds (distance) P-C4' energy: -33.066
flat angles C4'-P-C4' energy: -32.291
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -10.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -193.687074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.687074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.687074 (E_RNA)
where:
Base-Base interactions energy: -79.803
where: short stacking energy: -54.433
Base-Backbone interact. energy: 0.510
local terms energy: -114.393900
where:
bonds (distance) C4'-P energy: -27.972
bonds (distance) P-C4' energy: -32.698
flat angles C4'-P-C4' energy: -35.326
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -161.929990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.929990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.929990 (E_RNA)
where:
Base-Base interactions energy: -51.100
where: short stacking energy: -42.674
Base-Backbone interact. energy: -0.693
local terms energy: -110.137007
where:
bonds (distance) C4'-P energy: -25.425
bonds (distance) P-C4' energy: -25.666
flat angles C4'-P-C4' energy: -38.638
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -145.162327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.162327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.162327 (E_RNA)
where:
Base-Base interactions energy: -49.076
where: short stacking energy: -45.760
Base-Backbone interact. energy: -1.362
local terms energy: -94.724571
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -32.386
flat angles C4'-P-C4' energy: -30.561
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: 4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -528.433192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.433192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.433192 (E_RNA)
where:
Base-Base interactions energy: -346.781
where: short stacking energy: -145.929
Base-Backbone interact. energy: -1.301
local terms energy: -180.351381
where:
bonds (distance) C4'-P energy: -37.410
bonds (distance) P-C4' energy: -37.196
flat angles C4'-P-C4' energy: -40.750
flat angles P-C4'-P energy: -28.622
tors. eta vs tors. theta energy: -36.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -478.015241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.015241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.015241 (E_RNA)
where:
Base-Base interactions energy: -301.842
where: short stacking energy: -160.789
Base-Backbone interact. energy: -1.016
local terms energy: -175.157783
where:
bonds (distance) C4'-P energy: -38.375
bonds (distance) P-C4' energy: -33.604
flat angles C4'-P-C4' energy: -30.358
flat angles P-C4'-P energy: -25.039
tors. eta vs tors. theta energy: -47.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -509.791744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.791744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.791744 (E_RNA)
where:
Base-Base interactions energy: -326.780
where: short stacking energy: -154.191
Base-Backbone interact. energy: -0.121
local terms energy: -182.890879
where:
bonds (distance) C4'-P energy: -35.519
bonds (distance) P-C4' energy: -36.421
flat angles C4'-P-C4' energy: -38.512
flat angles P-C4'-P energy: -22.852
tors. eta vs tors. theta energy: -49.587
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: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -330.867212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.867212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.867212 (E_RNA)
where:
Base-Base interactions energy: -199.490
where: short stacking energy: -102.690
Base-Backbone interact. energy: -0.405
local terms energy: -130.972525
where:
bonds (distance) C4'-P energy: -32.471
bonds (distance) P-C4' energy: -29.683
flat angles C4'-P-C4' energy: -31.866
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -22.245
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: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -293.264893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.264893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.264893 (E_RNA)
where:
Base-Base interactions energy: -155.335
where: short stacking energy: -70.429
Base-Backbone interact. energy: -0.252
local terms energy: -137.678401
where:
bonds (distance) C4'-P energy: -36.839
bonds (distance) P-C4' energy: -30.763
flat angles C4'-P-C4' energy: -35.630
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -296.251354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.251354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.251354 (E_RNA)
where:
Base-Base interactions energy: -151.760
where: short stacking energy: -80.428
Base-Backbone interact. energy: -0.226
local terms energy: -144.264440
where:
bonds (distance) C4'-P energy: -34.587
bonds (distance) P-C4' energy: -36.919
flat angles C4'-P-C4' energy: -29.307
flat angles P-C4'-P energy: -26.684
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -240.401531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.401531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.401531 (E_RNA)
where:
Base-Base interactions energy: -123.032
where: short stacking energy: -60.888
Base-Backbone interact. energy: -0.484
local terms energy: -116.885427
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -30.861
flat angles C4'-P-C4' energy: -31.394
flat angles P-C4'-P energy: -21.925
tors. eta vs tors. theta energy: -9.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -195.356231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.356231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.356231 (E_RNA)
where:
Base-Base interactions energy: -74.518
where: short stacking energy: -44.884
Base-Backbone interact. energy: -1.531
local terms energy: -119.307358
where:
bonds (distance) C4'-P energy: -38.609
bonds (distance) P-C4' energy: -32.281
flat angles C4'-P-C4' energy: -29.055
flat angles P-C4'-P energy: -21.821
tors. eta vs tors. theta energy: 2.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -165.015387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.015387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.015387 (E_RNA)
where:
Base-Base interactions energy: -61.772
where: short stacking energy: -53.542
Base-Backbone interact. energy: -0.618
local terms energy: -102.625637
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -36.223
flat angles C4'-P-C4' energy: -25.399
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -157.993206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.993206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.993206 (E_RNA)
where:
Base-Base interactions energy: -61.763
where: short stacking energy: -43.740
Base-Backbone interact. energy: 0.149
local terms energy: -96.379161
where:
bonds (distance) C4'-P energy: -28.107
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -23.494
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -9.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -537.390792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.390792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.390792 (E_RNA)
where:
Base-Base interactions energy: -375.214
where: short stacking energy: -135.582
Base-Backbone interact. energy: -0.157
local terms energy: -162.020635
where:
bonds (distance) C4'-P energy: -28.017
bonds (distance) P-C4' energy: -33.944
flat angles C4'-P-C4' energy: -37.477
flat angles P-C4'-P energy: -22.190
tors. eta vs tors. theta energy: -40.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -493.267571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.267571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.267571 (E_RNA)
where:
Base-Base interactions energy: -308.195
where: short stacking energy: -148.413
Base-Backbone interact. energy: -0.464
local terms energy: -184.608868
where:
bonds (distance) C4'-P energy: -33.913
bonds (distance) P-C4' energy: -40.085
flat angles C4'-P-C4' energy: -34.241
flat angles P-C4'-P energy: -26.914
tors. eta vs tors. theta energy: -49.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -515.630391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.630391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.630391 (E_RNA)
where:
Base-Base interactions energy: -327.484
where: short stacking energy: -159.401
Base-Backbone interact. energy: -0.671
local terms energy: -187.475064
where:
bonds (distance) C4'-P energy: -34.087
bonds (distance) P-C4' energy: -32.353
flat angles C4'-P-C4' energy: -39.645
flat angles P-C4'-P energy: -26.504
tors. eta vs tors. theta energy: -54.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -365.658715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.658715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.658715 (E_RNA)
where:
Base-Base interactions energy: -213.049
where: short stacking energy: -113.301
Base-Backbone interact. energy: 0.007
local terms energy: -152.616886
where:
bonds (distance) C4'-P energy: -35.490
bonds (distance) P-C4' energy: -36.773
flat angles C4'-P-C4' energy: -30.060
flat angles P-C4'-P energy: -24.026
tors. eta vs tors. theta energy: -26.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -324.260719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.260719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.260719 (E_RNA)
where:
Base-Base interactions energy: -177.053
where: short stacking energy: -73.059
Base-Backbone interact. energy: -1.005
local terms energy: -146.201790
where:
bonds (distance) C4'-P energy: -37.355
bonds (distance) P-C4' energy: -30.585
flat angles C4'-P-C4' energy: -37.661
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -286.892208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.892208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.892208 (E_RNA)
where:
Base-Base interactions energy: -144.971
where: short stacking energy: -86.048
Base-Backbone interact. energy: -0.068
local terms energy: -141.853292
where:
bonds (distance) C4'-P energy: -35.308
bonds (distance) P-C4' energy: -36.261
flat angles C4'-P-C4' energy: -23.732
flat angles P-C4'-P energy: -22.005
tors. eta vs tors. theta energy: -24.547
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: 62
Temperature: 1.200000
Total energy: -228.537065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.537065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.537065 (E_RNA)
where:
Base-Base interactions energy: -104.977
where: short stacking energy: -61.110
Base-Backbone interact. energy: -1.183
local terms energy: -122.377321
where:
bonds (distance) C4'-P energy: -26.924
bonds (distance) P-C4' energy: -29.812
flat angles C4'-P-C4' energy: -29.107
flat angles P-C4'-P energy: -25.366
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -212.083553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.083553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.083553 (E_RNA)
where:
Base-Base interactions energy: -97.957
where: short stacking energy: -58.004
Base-Backbone interact. energy: -1.597
local terms energy: -112.529607
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -25.531
flat angles C4'-P-C4' energy: -29.133
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -155.105454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.105454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.105454 (E_RNA)
where:
Base-Base interactions energy: -51.292
where: short stacking energy: -29.645
Base-Backbone interact. energy: 2.190
local terms energy: -106.003619
where:
bonds (distance) C4'-P energy: -28.376
bonds (distance) P-C4' energy: -40.972
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -19.805
tors. eta vs tors. theta energy: 2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -140.917486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.917486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.917486 (E_RNA)
where:
Base-Base interactions energy: -46.672
where: short stacking energy: -38.559
Base-Backbone interact. energy: -0.112
local terms energy: -94.133548
where:
bonds (distance) C4'-P energy: -24.191
bonds (distance) P-C4' energy: -37.392
flat angles C4'-P-C4' energy: -24.734
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: 5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -532.070015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.070015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.070015 (E_RNA)
where:
Base-Base interactions energy: -365.070
where: short stacking energy: -146.098
Base-Backbone interact. energy: -0.838
local terms energy: -166.161941
where:
bonds (distance) C4'-P energy: -29.522
bonds (distance) P-C4' energy: -35.732
flat angles C4'-P-C4' energy: -34.305
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: -39.804
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: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -495.959759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.959759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.959759 (E_RNA)
where:
Base-Base interactions energy: -316.338
where: short stacking energy: -140.656
Base-Backbone interact. energy: 0.101
local terms energy: -179.722062
where:
bonds (distance) C4'-P energy: -31.601
bonds (distance) P-C4' energy: -32.596
flat angles C4'-P-C4' energy: -40.315
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -52.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -458.386930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.386930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.386930 (E_RNA)
where:
Base-Base interactions energy: -293.332
where: short stacking energy: -147.980
Base-Backbone interact. energy: -1.412
local terms energy: -163.642655
where:
bonds (distance) C4'-P energy: -24.639
bonds (distance) P-C4' energy: -36.368
flat angles C4'-P-C4' energy: -33.217
flat angles P-C4'-P energy: -22.440
tors. eta vs tors. theta energy: -46.978
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: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -339.617258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.617258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.617258 (E_RNA)
where:
Base-Base interactions energy: -203.842
where: short stacking energy: -87.945
Base-Backbone interact. energy: -0.287
local terms energy: -135.487579
where:
bonds (distance) C4'-P energy: -33.768
bonds (distance) P-C4' energy: -36.481
flat angles C4'-P-C4' energy: -26.606
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -19.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -319.021022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.021022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.021022 (E_RNA)
where:
Base-Base interactions energy: -177.436
where: short stacking energy: -104.508
Base-Backbone interact. energy: -0.241
local terms energy: -141.343431
where:
bonds (distance) C4'-P energy: -28.751
bonds (distance) P-C4' energy: -37.099
flat angles C4'-P-C4' energy: -30.098
flat angles P-C4'-P energy: -16.335
tors. eta vs tors. theta energy: -29.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -265.867696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.867696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.867696 (E_RNA)
where:
Base-Base interactions energy: -126.665
where: short stacking energy: -84.702
Base-Backbone interact. energy: -0.280
local terms energy: -138.922528
where:
bonds (distance) C4'-P energy: -34.844
bonds (distance) P-C4' energy: -32.112
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -23.000
tors. eta vs tors. theta energy: -23.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -241.852003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.852003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.852003 (E_RNA)
where:
Base-Base interactions energy: -130.527
where: short stacking energy: -63.441
Base-Backbone interact. energy: 0.001
local terms energy: -111.325476
where:
bonds (distance) C4'-P energy: -24.232
bonds (distance) P-C4' energy: -32.840
flat angles C4'-P-C4' energy: -34.461
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -4.621
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: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -192.492982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.492982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.492982 (E_RNA)
where:
Base-Base interactions energy: -78.422
where: short stacking energy: -50.944
Base-Backbone interact. energy: 0.318
local terms energy: -114.388733
where:
bonds (distance) C4'-P energy: -35.220
bonds (distance) P-C4' energy: -32.494
flat angles C4'-P-C4' energy: -32.092
flat angles P-C4'-P energy: -20.810
tors. eta vs tors. theta energy: 6.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -168.134198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.134198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.134198 (E_RNA)
where:
Base-Base interactions energy: -79.851
where: short stacking energy: -40.886
Base-Backbone interact. energy: 4.493
local terms energy: -92.776051
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -25.141
flat angles C4'-P-C4' energy: -27.902
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: 0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -150.018418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.018418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.018418 (E_RNA)
where:
Base-Base interactions energy: -52.114
where: short stacking energy: -47.165
Base-Backbone interact. energy: -0.362
local terms energy: -97.541862
where:
bonds (distance) C4'-P energy: -25.194
bonds (distance) P-C4' energy: -36.826
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -533.145558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.145558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.145558 (E_RNA)
where:
Base-Base interactions energy: -351.448
where: short stacking energy: -144.423
Base-Backbone interact. energy: -0.800
local terms energy: -180.897345
where:
bonds (distance) C4'-P energy: -35.345
bonds (distance) P-C4' energy: -34.593
flat angles C4'-P-C4' energy: -38.822
flat angles P-C4'-P energy: -28.280
tors. eta vs tors. theta energy: -43.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -465.727297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.727297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.727297 (E_RNA)
where:
Base-Base interactions energy: -293.674
where: short stacking energy: -139.639
Base-Backbone interact. energy: -0.552
local terms energy: -171.501622
where:
bonds (distance) C4'-P energy: -28.376
bonds (distance) P-C4' energy: -38.154
flat angles C4'-P-C4' energy: -38.099
flat angles P-C4'-P energy: -25.691
tors. eta vs tors. theta energy: -41.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -457.125747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.125747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.125747 (E_RNA)
where:
Base-Base interactions energy: -299.736
where: short stacking energy: -145.623
Base-Backbone interact. energy: -0.897
local terms energy: -156.492582
where:
bonds (distance) C4'-P energy: -31.084
bonds (distance) P-C4' energy: -24.003
flat angles C4'-P-C4' energy: -35.444
flat angles P-C4'-P energy: -23.167
tors. eta vs tors. theta energy: -42.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -326.089006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.089006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.089006 (E_RNA)
where:
Base-Base interactions energy: -180.631
where: short stacking energy: -91.331
Base-Backbone interact. energy: -1.582
local terms energy: -143.876261
where:
bonds (distance) C4'-P energy: -37.294
bonds (distance) P-C4' energy: -24.462
flat angles C4'-P-C4' energy: -29.191
flat angles P-C4'-P energy: -26.362
tors. eta vs tors. theta energy: -26.567
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: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -323.525623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.525623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.525623 (E_RNA)
where:
Base-Base interactions energy: -166.783
where: short stacking energy: -84.461
Base-Backbone interact. energy: 0.622
local terms energy: -157.364453
where:
bonds (distance) C4'-P energy: -36.139
bonds (distance) P-C4' energy: -35.111
flat angles C4'-P-C4' energy: -39.909
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: -23.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -275.867864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.867864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.867864 (E_RNA)
where:
Base-Base interactions energy: -142.146
where: short stacking energy: -89.428
Base-Backbone interact. energy: 0.156
local terms energy: -133.877472
where:
bonds (distance) C4'-P energy: -31.172
bonds (distance) P-C4' energy: -36.566
flat angles C4'-P-C4' energy: -34.051
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -19.361
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: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -229.557808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.557808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.557808 (E_RNA)
where:
Base-Base interactions energy: -101.237
where: short stacking energy: -60.689
Base-Backbone interact. energy: -0.199
local terms energy: -128.121890
where:
bonds (distance) C4'-P energy: -33.050
bonds (distance) P-C4' energy: -35.240
flat angles C4'-P-C4' energy: -32.270
flat angles P-C4'-P energy: -19.524
tors. eta vs tors. theta energy: -8.038
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: 2
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -271.675475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.675475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.675475 (E_RNA)
where:
Base-Base interactions energy: -139.885
where: short stacking energy: -72.783
Base-Backbone interact. energy: -0.090
local terms energy: -131.700841
where:
bonds (distance) C4'-P energy: -29.297
bonds (distance) P-C4' energy: -31.659
flat angles C4'-P-C4' energy: -36.369
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -18.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -163.623254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.623254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.623254 (E_RNA)
where:
Base-Base interactions energy: -60.971
where: short stacking energy: -41.893
Base-Backbone interact. energy: -1.356
local terms energy: -101.297240
where:
bonds (distance) C4'-P energy: -30.036
bonds (distance) P-C4' energy: -29.584
flat angles C4'-P-C4' energy: -29.302
flat angles P-C4'-P energy: -15.299
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: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -147.331490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.331490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.331490 (E_RNA)
where:
Base-Base interactions energy: -49.818
where: short stacking energy: -38.043
Base-Backbone interact. energy: -0.314
local terms energy: -97.199900
where:
bonds (distance) C4'-P energy: -33.449
bonds (distance) P-C4' energy: -23.988
flat angles C4'-P-C4' energy: -18.531
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -520.545194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.545194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.545194 (E_RNA)
where:
Base-Base interactions energy: -353.020
where: short stacking energy: -150.295
Base-Backbone interact. energy: -1.550
local terms energy: -165.974888
where:
bonds (distance) C4'-P energy: -33.939
bonds (distance) P-C4' energy: -34.902
flat angles C4'-P-C4' energy: -30.521
flat angles P-C4'-P energy: -22.628
tors. eta vs tors. theta energy: -43.984
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: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -480.100431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.100431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.100431 (E_RNA)
where:
Base-Base interactions energy: -297.870
where: short stacking energy: -143.424
Base-Backbone interact. energy: -0.180
local terms energy: -182.049708
where:
bonds (distance) C4'-P energy: -36.116
bonds (distance) P-C4' energy: -35.171
flat angles C4'-P-C4' energy: -37.618
flat angles P-C4'-P energy: -28.232
tors. eta vs tors. theta energy: -44.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -465.572726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.572726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.572726 (E_RNA)
where:
Base-Base interactions energy: -286.752
where: short stacking energy: -138.300
Base-Backbone interact. energy: -0.642
local terms energy: -178.178621
where:
bonds (distance) C4'-P energy: -36.134
bonds (distance) P-C4' energy: -39.216
flat angles C4'-P-C4' energy: -35.358
flat angles P-C4'-P energy: -27.564
tors. eta vs tors. theta energy: -39.907
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: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -335.245593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.245593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.245593 (E_RNA)
where:
Base-Base interactions energy: -180.580
where: short stacking energy: -89.047
Base-Backbone interact. energy: -0.749
local terms energy: -153.916617
where:
bonds (distance) C4'-P energy: -41.004
bonds (distance) P-C4' energy: -35.322
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -21.695
tors. eta vs tors. theta energy: -24.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -343.090356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.090356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.090356 (E_RNA)
where:
Base-Base interactions energy: -205.772
where: short stacking energy: -101.919
Base-Backbone interact. energy: -0.658
local terms energy: -136.660268
where:
bonds (distance) C4'-P energy: -27.742
bonds (distance) P-C4' energy: -31.693
flat angles C4'-P-C4' energy: -33.317
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -24.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -262.877550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.877550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.877550 (E_RNA)
where:
Base-Base interactions energy: -132.899
where: short stacking energy: -71.295
Base-Backbone interact. energy: 0.449
local terms energy: -130.427680
where:
bonds (distance) C4'-P energy: -30.488
bonds (distance) P-C4' energy: -32.936
flat angles C4'-P-C4' energy: -31.352
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -8.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -258.383391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.383391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.383391 (E_RNA)
where:
Base-Base interactions energy: -142.268
where: short stacking energy: -70.414
Base-Backbone interact. energy: -1.265
local terms energy: -114.850528
where:
bonds (distance) C4'-P energy: -29.457
bonds (distance) P-C4' energy: -27.299
flat angles C4'-P-C4' energy: -37.435
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -6.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -275.186121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.186121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.186121 (E_RNA)
where:
Base-Base interactions energy: -159.010
where: short stacking energy: -74.084
Base-Backbone interact. energy: -0.692
local terms energy: -115.484224
where:
bonds (distance) C4'-P energy: -27.255
bonds (distance) P-C4' energy: -33.030
flat angles C4'-P-C4' energy: -32.482
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -6.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -182.504533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.504533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.504533 (E_RNA)
where:
Base-Base interactions energy: -72.608
where: short stacking energy: -40.335
Base-Backbone interact. energy: 1.703
local terms energy: -111.599847
where:
bonds (distance) C4'-P energy: -29.571
bonds (distance) P-C4' energy: -38.448
flat angles C4'-P-C4' energy: -29.341
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: 1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -203.562234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.562234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.562234 (E_RNA)
where:
Base-Base interactions energy: -103.543
where: short stacking energy: -63.460
Base-Backbone interact. energy: -0.747
local terms energy: -99.272679
where:
bonds (distance) C4'-P energy: -23.308
bonds (distance) P-C4' energy: -24.760
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -24.061
tors. eta vs tors. theta energy: -5.841
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: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -525.909101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.909101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.909101 (E_RNA)
where:
Base-Base interactions energy: -350.213
where: short stacking energy: -146.931
Base-Backbone interact. energy: -1.124
local terms energy: -174.571681
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -34.402
flat angles C4'-P-C4' energy: -38.269
flat angles P-C4'-P energy: -23.995
tors. eta vs tors. theta energy: -46.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -472.073714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.073714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.073714 (E_RNA)
where:
Base-Base interactions energy: -300.085
where: short stacking energy: -145.989
Base-Backbone interact. energy: -0.150
local terms energy: -171.838291
where:
bonds (distance) C4'-P energy: -35.922
bonds (distance) P-C4' energy: -33.671
flat angles C4'-P-C4' energy: -37.201
flat angles P-C4'-P energy: -22.154
tors. eta vs tors. theta energy: -42.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -482.515971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.515971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.515971 (E_RNA)
where:
Base-Base interactions energy: -314.642
where: short stacking energy: -148.405
Base-Backbone interact. energy: -0.104
local terms energy: -167.769530
where:
bonds (distance) C4'-P energy: -31.594
bonds (distance) P-C4' energy: -30.235
flat angles C4'-P-C4' energy: -40.531
flat angles P-C4'-P energy: -22.371
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: 4, replica: 8
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -351.837930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.837930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.837930 (E_RNA)
where:
Base-Base interactions energy: -202.500
where: short stacking energy: -105.693
Base-Backbone interact. energy: -0.353
local terms energy: -148.985717
where:
bonds (distance) C4'-P energy: -34.175
bonds (distance) P-C4' energy: -30.993
flat angles C4'-P-C4' energy: -38.235
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: -26.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -327.401564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.401564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.401564 (E_RNA)
where:
Base-Base interactions energy: -200.948
where: short stacking energy: -110.576
Base-Backbone interact. energy: -0.507
local terms energy: -125.946690
where:
bonds (distance) C4'-P energy: -30.333
bonds (distance) P-C4' energy: -25.702
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -28.907
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: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -253.708145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.708145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.708145 (E_RNA)
where:
Base-Base interactions energy: -127.261
where: short stacking energy: -68.216
Base-Backbone interact. energy: -0.630
local terms energy: -125.817878
where:
bonds (distance) C4'-P energy: -33.300
bonds (distance) P-C4' energy: -35.846
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -17.845
tors. eta vs tors. theta energy: -13.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -254.975848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.975848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.975848 (E_RNA)
where:
Base-Base interactions energy: -132.042
where: short stacking energy: -79.738
Base-Backbone interact. energy: -0.369
local terms energy: -122.565484
where:
bonds (distance) C4'-P energy: -28.339
bonds (distance) P-C4' energy: -27.280
flat angles C4'-P-C4' energy: -33.365
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -245.880118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.880118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.880118 (E_RNA)
where:
Base-Base interactions energy: -144.749
where: short stacking energy: -76.015
Base-Backbone interact. energy: -0.379
local terms energy: -100.752035
where:
bonds (distance) C4'-P energy: -23.233
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -27.064
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -11.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -169.991391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.991391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.991391 (E_RNA)
where:
Base-Base interactions energy: -63.555
where: short stacking energy: -51.737
Base-Backbone interact. energy: -1.055
local terms energy: -105.381560
where:
bonds (distance) C4'-P energy: -29.907
bonds (distance) P-C4' energy: -27.883
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -19.083
tors. eta vs tors. theta energy: -4.057
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: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -163.707328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.707328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.707328 (E_RNA)
where:
Base-Base interactions energy: -69.968
where: short stacking energy: -40.004
Base-Backbone interact. energy: 0.285
local terms energy: -94.024024
where:
bonds (distance) C4'-P energy: -29.341
bonds (distance) P-C4' energy: -25.116
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -18.895
tors. eta vs tors. theta energy: 1.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -531.202244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.202244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.202244 (E_RNA)
where:
Base-Base interactions energy: -352.706
where: short stacking energy: -153.395
Base-Backbone interact. energy: 0.161
local terms energy: -178.657638
where:
bonds (distance) C4'-P energy: -34.944
bonds (distance) P-C4' energy: -36.768
flat angles C4'-P-C4' energy: -36.233
flat angles P-C4'-P energy: -25.461
tors. eta vs tors. theta energy: -45.251
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: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -473.143524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.143524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.143524 (E_RNA)
where:
Base-Base interactions energy: -305.500
where: short stacking energy: -141.634
Base-Backbone interact. energy: -0.157
local terms energy: -167.485844
where:
bonds (distance) C4'-P energy: -37.054
bonds (distance) P-C4' energy: -34.208
flat angles C4'-P-C4' energy: -34.661
flat angles P-C4'-P energy: -22.671
tors. eta vs tors. theta energy: -38.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -467.049455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.049455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.049455 (E_RNA)
where:
Base-Base interactions energy: -300.838
where: short stacking energy: -134.550
Base-Backbone interact. energy: -1.220
local terms energy: -164.990774
where:
bonds (distance) C4'-P energy: -31.993
bonds (distance) P-C4' energy: -29.516
flat angles C4'-P-C4' energy: -30.483
flat angles P-C4'-P energy: -25.867
tors. eta vs tors. theta energy: -47.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -374.539130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.539130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.539130 (E_RNA)
where:
Base-Base interactions energy: -229.181
where: short stacking energy: -113.733
Base-Backbone interact. energy: -0.637
local terms energy: -144.720676
where:
bonds (distance) C4'-P energy: -35.870
bonds (distance) P-C4' energy: -29.319
flat angles C4'-P-C4' energy: -35.708
flat angles P-C4'-P energy: -19.958
tors. eta vs tors. theta energy: -23.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -320.400388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.400388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.400388 (E_RNA)
where:
Base-Base interactions energy: -177.980
where: short stacking energy: -104.749
Base-Backbone interact. energy: -0.143
local terms energy: -142.276908
where:
bonds (distance) C4'-P energy: -25.905
bonds (distance) P-C4' energy: -33.700
flat angles C4'-P-C4' energy: -35.068
flat angles P-C4'-P energy: -19.280
tors. eta vs tors. theta energy: -28.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -265.531260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.531260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.531260 (E_RNA)
where:
Base-Base interactions energy: -124.256
where: short stacking energy: -75.505
Base-Backbone interact. energy: -0.240
local terms energy: -141.035590
where:
bonds (distance) C4'-P energy: -39.968
bonds (distance) P-C4' energy: -30.957
flat angles C4'-P-C4' energy: -33.997
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -15.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -271.331501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.331501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.331501 (E_RNA)
where:
Base-Base interactions energy: -141.274
where: short stacking energy: -72.097
Base-Backbone interact. energy: -0.860
local terms energy: -129.197757
where:
bonds (distance) C4'-P energy: -28.272
bonds (distance) P-C4' energy: -30.673
flat angles C4'-P-C4' energy: -34.519
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -173.464383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.464383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.464383 (E_RNA)
where:
Base-Base interactions energy: -58.355
where: short stacking energy: -58.355
Base-Backbone interact. energy: 0.317
local terms energy: -115.427107
where:
bonds (distance) C4'-P energy: -34.758
bonds (distance) P-C4' energy: -24.703
flat angles C4'-P-C4' energy: -34.563
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -232.497268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.497268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.497268 (E_RNA)
where:
Base-Base interactions energy: -118.640
where: short stacking energy: -70.070
Base-Backbone interact. energy: 1.167
local terms energy: -115.024324
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -33.253
flat angles C4'-P-C4' energy: -25.446
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -12.492
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: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -134.619803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.619803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.619803 (E_RNA)
where:
Base-Base interactions energy: -42.152
where: short stacking energy: -36.104
Base-Backbone interact. energy: -0.506
local terms energy: -91.961909
where:
bonds (distance) C4'-P energy: -34.247
bonds (distance) P-C4' energy: -29.765
flat angles C4'-P-C4' energy: -24.307
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: 5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -525.214164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.214164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.214164 (E_RNA)
where:
Base-Base interactions energy: -344.744
where: short stacking energy: -144.160
Base-Backbone interact. energy: -1.111
local terms energy: -179.359646
where:
bonds (distance) C4'-P energy: -40.154
bonds (distance) P-C4' energy: -34.116
flat angles C4'-P-C4' energy: -36.360
flat angles P-C4'-P energy: -26.521
tors. eta vs tors. theta energy: -42.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -453.239449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.239449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.239449 (E_RNA)
where:
Base-Base interactions energy: -301.533
where: short stacking energy: -127.423
Base-Backbone interact. energy: -0.354
local terms energy: -151.352413
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -17.662
tors. eta vs tors. theta energy: -33.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -480.549146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.549146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.549146 (E_RNA)
where:
Base-Base interactions energy: -309.409
where: short stacking energy: -156.916
Base-Backbone interact. energy: -0.095
local terms energy: -171.045591
where:
bonds (distance) C4'-P energy: -36.011
bonds (distance) P-C4' energy: -33.875
flat angles C4'-P-C4' energy: -33.468
flat angles P-C4'-P energy: -22.319
tors. eta vs tors. theta energy: -45.373
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: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -382.298712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.298712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.298712 (E_RNA)
where:
Base-Base interactions energy: -231.711
where: short stacking energy: -112.605
Base-Backbone interact. energy: -0.675
local terms energy: -149.913351
where:
bonds (distance) C4'-P energy: -34.220
bonds (distance) P-C4' energy: -35.784
flat angles C4'-P-C4' energy: -30.764
flat angles P-C4'-P energy: -18.230
tors. eta vs tors. theta energy: -30.915
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: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -311.876727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.876727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.876727 (E_RNA)
where:
Base-Base interactions energy: -184.914
where: short stacking energy: -94.392
Base-Backbone interact. energy: 2.089
local terms energy: -129.051208
where:
bonds (distance) C4'-P energy: -31.446
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -28.029
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -256.336219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.336219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.336219 (E_RNA)
where:
Base-Base interactions energy: -135.839
where: short stacking energy: -67.288
Base-Backbone interact. energy: 0.801
local terms energy: -121.298410
where:
bonds (distance) C4'-P energy: -34.958
bonds (distance) P-C4' energy: -29.219
flat angles C4'-P-C4' energy: -33.136
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -13.857
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: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -170.428307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.428307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.428307 (E_RNA)
where:
Base-Base interactions energy: -61.435
where: short stacking energy: -46.718
Base-Backbone interact. energy: 1.010
local terms energy: -110.003085
where:
bonds (distance) C4'-P energy: -33.060
bonds (distance) P-C4' energy: -31.921
flat angles C4'-P-C4' energy: -29.857
flat angles P-C4'-P energy: -16.671
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: 8, replica: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -246.510333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.510333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.510333 (E_RNA)
where:
Base-Base interactions energy: -124.969
where: short stacking energy: -56.107
Base-Backbone interact. energy: -2.010
local terms energy: -119.531502
where:
bonds (distance) C4'-P energy: -33.286
bonds (distance) P-C4' energy: -32.106
flat angles C4'-P-C4' energy: -31.912
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -145.015800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.015800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.015800 (E_RNA)
where:
Base-Base interactions energy: -38.345
where: short stacking energy: -27.370
Base-Backbone interact. energy: -1.131
local terms energy: -105.540479
where:
bonds (distance) C4'-P energy: -33.442
bonds (distance) P-C4' energy: -32.736
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: 0.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -143.374525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.374525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.374525 (E_RNA)
where:
Base-Base interactions energy: -51.436
where: short stacking energy: -46.757
Base-Backbone interact. energy: -0.139
local terms energy: -91.799561
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -25.535
flat angles C4'-P-C4' energy: -28.686
flat angles P-C4'-P energy: -17.875
tors. eta vs tors. theta energy: 1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -526.151967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.151967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.151967 (E_RNA)
where:
Base-Base interactions energy: -346.771
where: short stacking energy: -148.222
Base-Backbone interact. energy: -0.132
local terms energy: -179.249580
where:
bonds (distance) C4'-P energy: -31.274
bonds (distance) P-C4' energy: -40.074
flat angles C4'-P-C4' energy: -30.502
flat angles P-C4'-P energy: -27.240
tors. eta vs tors. theta energy: -50.159
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: 2, replica: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -476.586906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.586906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.586906 (E_RNA)
where:
Base-Base interactions energy: -322.105
where: short stacking energy: -141.252
Base-Backbone interact. energy: -0.545
local terms energy: -153.937347
where:
bonds (distance) C4'-P energy: -30.550
bonds (distance) P-C4' energy: -34.671
flat angles C4'-P-C4' energy: -27.254
flat angles P-C4'-P energy: -21.940
tors. eta vs tors. theta energy: -39.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -481.116245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.116245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.116245 (E_RNA)
where:
Base-Base interactions energy: -299.149
where: short stacking energy: -145.064
Base-Backbone interact. energy: -0.219
local terms energy: -181.748128
where:
bonds (distance) C4'-P energy: -32.857
bonds (distance) P-C4' energy: -33.349
flat angles C4'-P-C4' energy: -37.175
flat angles P-C4'-P energy: -26.592
tors. eta vs tors. theta energy: -51.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -395.258490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.258490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.258490 (E_RNA)
where:
Base-Base interactions energy: -240.377
where: short stacking energy: -100.997
Base-Backbone interact. energy: 0.704
local terms energy: -155.585266
where:
bonds (distance) C4'-P energy: -38.073
bonds (distance) P-C4' energy: -35.540
flat angles C4'-P-C4' energy: -34.769
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -34.010
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: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -321.914778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.914778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.914778 (E_RNA)
where:
Base-Base interactions energy: -182.121
where: short stacking energy: -92.087
Base-Backbone interact. energy: -1.600
local terms energy: -138.194033
where:
bonds (distance) C4'-P energy: -29.391
bonds (distance) P-C4' energy: -34.118
flat angles C4'-P-C4' energy: -37.832
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -21.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -264.307126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.307126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.307126 (E_RNA)
where:
Base-Base interactions energy: -124.650
where: short stacking energy: -70.018
Base-Backbone interact. energy: -1.008
local terms energy: -138.648934
where:
bonds (distance) C4'-P energy: -39.762
bonds (distance) P-C4' energy: -32.462
flat angles C4'-P-C4' energy: -37.724
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -10.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -162.427340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.427340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.427340 (E_RNA)
where:
Base-Base interactions energy: -41.010
where: short stacking energy: -36.886
Base-Backbone interact. energy: -0.584
local terms energy: -120.833545
where:
bonds (distance) C4'-P energy: -35.884
bonds (distance) P-C4' energy: -42.608
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -23.144
tors. eta vs tors. theta energy: 1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -237.914611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.914611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.914611 (E_RNA)
where:
Base-Base interactions energy: -119.361
where: short stacking energy: -64.576
Base-Backbone interact. energy: -0.645
local terms energy: -117.909125
where:
bonds (distance) C4'-P energy: -31.429
bonds (distance) P-C4' energy: -32.565
flat angles C4'-P-C4' energy: -25.487
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -152.563821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.563821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.563821 (E_RNA)
where:
Base-Base interactions energy: -60.253
where: short stacking energy: -56.456
Base-Backbone interact. energy: -0.707
local terms energy: -91.604084
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -32.893
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -168.654765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.654765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.654765 (E_RNA)
where:
Base-Base interactions energy: -72.210
where: short stacking energy: -28.379
Base-Backbone interact. energy: -2.256
local terms energy: -94.189661
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -28.306
flat angles C4'-P-C4' energy: -31.970
flat angles P-C4'-P energy: -21.682
tors. eta vs tors. theta energy: 7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -534.070763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.070763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.070763 (E_RNA)
where:
Base-Base interactions energy: -353.909
where: short stacking energy: -151.377
Base-Backbone interact. energy: -0.962
local terms energy: -179.200024
where:
bonds (distance) C4'-P energy: -35.576
bonds (distance) P-C4' energy: -36.073
flat angles C4'-P-C4' energy: -39.279
flat angles P-C4'-P energy: -25.032
tors. eta vs tors. theta energy: -43.240
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: 2, replica: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -476.731621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.731621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.731621 (E_RNA)
where:
Base-Base interactions energy: -304.131
where: short stacking energy: -148.916
Base-Backbone interact. energy: 0.137
local terms energy: -172.737675
where:
bonds (distance) C4'-P energy: -34.658
bonds (distance) P-C4' energy: -37.895
flat angles C4'-P-C4' energy: -35.359
flat angles P-C4'-P energy: -24.467
tors. eta vs tors. theta energy: -40.359
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: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -473.143592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.143592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.143592 (E_RNA)
where:
Base-Base interactions energy: -307.208
where: short stacking energy: -128.231
Base-Backbone interact. energy: -0.198
local terms energy: -165.738124
where:
bonds (distance) C4'-P energy: -29.797
bonds (distance) P-C4' energy: -35.584
flat angles C4'-P-C4' energy: -33.545
flat angles P-C4'-P energy: -21.212
tors. eta vs tors. theta energy: -45.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -392.108809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.108809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.108809 (E_RNA)
where:
Base-Base interactions energy: -223.854
where: short stacking energy: -113.212
Base-Backbone interact. energy: -0.192
local terms energy: -168.062719
where:
bonds (distance) C4'-P energy: -41.285
bonds (distance) P-C4' energy: -36.831
flat angles C4'-P-C4' energy: -35.980
flat angles P-C4'-P energy: -22.122
tors. eta vs tors. theta energy: -31.844
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: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -320.074419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.074419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.074419 (E_RNA)
where:
Base-Base interactions energy: -172.653
where: short stacking energy: -98.412
Base-Backbone interact. energy: 1.278
local terms energy: -148.699825
where:
bonds (distance) C4'-P energy: -32.855
bonds (distance) P-C4' energy: -35.582
flat angles C4'-P-C4' energy: -29.953
flat angles P-C4'-P energy: -28.325
tors. eta vs tors. theta energy: -21.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -249.022435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.022435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.022435 (E_RNA)
where:
Base-Base interactions energy: -129.785
where: short stacking energy: -74.460
Base-Backbone interact. energy: -1.459
local terms energy: -117.777744
where:
bonds (distance) C4'-P energy: -30.589
bonds (distance) P-C4' energy: -32.059
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -22.203
tors. eta vs tors. theta energy: -10.357
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: 9
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -284.065917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.065917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.065917 (E_RNA)
where:
Base-Base interactions energy: -167.592
where: short stacking energy: -88.510
Base-Backbone interact. energy: 0.348
local terms energy: -116.821579
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -32.094
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -18.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -182.024924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.024924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.024924 (E_RNA)
where:
Base-Base interactions energy: -70.000
where: short stacking energy: -50.530
Base-Backbone interact. energy: -1.549
local terms energy: -110.475252
where:
bonds (distance) C4'-P energy: -30.685
bonds (distance) P-C4' energy: -36.422
flat angles C4'-P-C4' energy: -23.699
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -150.895263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.895263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.895263 (E_RNA)
where:
Base-Base interactions energy: -54.124
where: short stacking energy: -30.366
Base-Backbone interact. energy: -0.160
local terms energy: -96.611015
where:
bonds (distance) C4'-P energy: -28.082
bonds (distance) P-C4' energy: -26.438
flat angles C4'-P-C4' energy: -21.426
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -5.412
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: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -152.293445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.293445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.293445 (E_RNA)
where:
Base-Base interactions energy: -51.516
where: short stacking energy: -47.163
Base-Backbone interact. energy: -0.293
local terms energy: -100.485164
where:
bonds (distance) C4'-P energy: -28.274
bonds (distance) P-C4' energy: -26.058
flat angles C4'-P-C4' energy: -25.188
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -535.999681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.999681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.999681 (E_RNA)
where:
Base-Base interactions energy: -353.553
where: short stacking energy: -148.858
Base-Backbone interact. energy: -2.330
local terms energy: -180.116424
where:
bonds (distance) C4'-P energy: -35.345
bonds (distance) P-C4' energy: -33.334
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -23.482
tors. eta vs tors. theta energy: -49.627
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: 6
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -486.537831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.537831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.537831 (E_RNA)
where:
Base-Base interactions energy: -322.968
where: short stacking energy: -159.764
Base-Backbone interact. energy: -0.874
local terms energy: -162.695709
where:
bonds (distance) C4'-P energy: -31.542
bonds (distance) P-C4' energy: -33.268
flat angles C4'-P-C4' energy: -32.507
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -45.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -464.013230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.013230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.013230 (E_RNA)
where:
Base-Base interactions energy: -298.592
where: short stacking energy: -137.214
Base-Backbone interact. energy: -0.528
local terms energy: -164.893014
where:
bonds (distance) C4'-P energy: -28.182
bonds (distance) P-C4' energy: -30.459
flat angles C4'-P-C4' energy: -36.995
flat angles P-C4'-P energy: -27.195
tors. eta vs tors. theta energy: -42.062
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: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -383.486024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.486024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.486024 (E_RNA)
where:
Base-Base interactions energy: -239.172
where: short stacking energy: -114.636
Base-Backbone interact. energy: 0.046
local terms energy: -144.360247
where:
bonds (distance) C4'-P energy: -30.733
bonds (distance) P-C4' energy: -34.567
flat angles C4'-P-C4' energy: -28.769
flat angles P-C4'-P energy: -23.578
tors. eta vs tors. theta energy: -26.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -327.364932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.364932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.364932 (E_RNA)
where:
Base-Base interactions energy: -183.953
where: short stacking energy: -92.579
Base-Backbone interact. energy: -1.201
local terms energy: -142.210845
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -38.866
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -27.556
tors. eta vs tors. theta energy: -18.699
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: 9
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -310.956346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.956346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.956346 (E_RNA)
where:
Base-Base interactions energy: -169.430
where: short stacking energy: -91.115
Base-Backbone interact. energy: -1.003
local terms energy: -140.522770
where:
bonds (distance) C4'-P energy: -33.613
bonds (distance) P-C4' energy: -38.185
flat angles C4'-P-C4' energy: -29.564
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -208.390606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.390606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.390606 (E_RNA)
where:
Base-Base interactions energy: -102.111
where: short stacking energy: -60.219
Base-Backbone interact. energy: -1.100
local terms energy: -105.179500
where:
bonds (distance) C4'-P energy: -23.843
bonds (distance) P-C4' energy: -36.767
flat angles C4'-P-C4' energy: -23.242
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -195.719904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.719904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.719904 (E_RNA)
where:
Base-Base interactions energy: -86.068
where: short stacking energy: -46.204
Base-Backbone interact. energy: -0.514
local terms energy: -109.137725
where:
bonds (distance) C4'-P energy: -32.947
bonds (distance) P-C4' energy: -28.029
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -21.921
tors. eta vs tors. theta energy: 0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -160.706023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.706023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.706023 (E_RNA)
where:
Base-Base interactions energy: -53.142
where: short stacking energy: -39.541
Base-Backbone interact. energy: -0.952
local terms energy: -106.612191
where:
bonds (distance) C4'-P energy: -30.260
bonds (distance) P-C4' energy: -30.995
flat angles C4'-P-C4' energy: -27.133
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -0.674
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: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -139.728711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.728711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.728711 (E_RNA)
where:
Base-Base interactions energy: -44.932
where: short stacking energy: -42.136
Base-Backbone interact. energy: -0.248
local terms energy: -94.548182
where:
bonds (distance) C4'-P energy: -32.586
bonds (distance) P-C4' energy: -29.901
flat angles C4'-P-C4' energy: -24.078
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: 0.499
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: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -538.174806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.174806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.174806 (E_RNA)
where:
Base-Base interactions energy: -353.016
where: short stacking energy: -144.395
Base-Backbone interact. energy: -0.364
local terms energy: -184.795490
where:
bonds (distance) C4'-P energy: -37.245
bonds (distance) P-C4' energy: -38.647
flat angles C4'-P-C4' energy: -36.817
flat angles P-C4'-P energy: -23.510
tors. eta vs tors. theta energy: -48.577
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: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -473.925711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.925711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.925711 (E_RNA)
where:
Base-Base interactions energy: -309.353
where: short stacking energy: -149.823
Base-Backbone interact. energy: -0.387
local terms energy: -164.186383
where:
bonds (distance) C4'-P energy: -28.962
bonds (distance) P-C4' energy: -36.221
flat angles C4'-P-C4' energy: -33.621
flat angles P-C4'-P energy: -23.298
tors. eta vs tors. theta energy: -42.085
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: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -455.961207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.961207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.961207 (E_RNA)
where:
Base-Base interactions energy: -292.178
where: short stacking energy: -131.346
Base-Backbone interact. energy: -0.325
local terms energy: -163.457839
where:
bonds (distance) C4'-P energy: -35.775
bonds (distance) P-C4' energy: -28.885
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -28.684
tors. eta vs tors. theta energy: -37.142
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: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -401.921302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.921302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.921302 (E_RNA)
where:
Base-Base interactions energy: -242.214
where: short stacking energy: -108.976
Base-Backbone interact. energy: -0.726
local terms energy: -158.981720
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -38.435
flat angles C4'-P-C4' energy: -29.175
flat angles P-C4'-P energy: -26.718
tors. eta vs tors. theta energy: -37.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -332.297122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.297122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.297122 (E_RNA)
where:
Base-Base interactions energy: -188.861
where: short stacking energy: -79.845
Base-Backbone interact. energy: -0.300
local terms energy: -143.136175
where:
bonds (distance) C4'-P energy: -32.512
bonds (distance) P-C4' energy: -33.524
flat angles C4'-P-C4' energy: -38.980
flat angles P-C4'-P energy: -20.372
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -268.552248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.552248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.552248 (E_RNA)
where:
Base-Base interactions energy: -126.314
where: short stacking energy: -75.399
Base-Backbone interact. energy: -0.384
local terms energy: -141.854175
where:
bonds (distance) C4'-P energy: -36.843
bonds (distance) P-C4' energy: -29.321
flat angles C4'-P-C4' energy: -35.146
flat angles P-C4'-P energy: -20.992
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: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -177.577893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.577893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.577893 (E_RNA)
where:
Base-Base interactions energy: -71.903
where: short stacking energy: -54.207
Base-Backbone interact. energy: 0.821
local terms energy: -106.496083
where:
bonds (distance) C4'-P energy: -31.607
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -160.425432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.425432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.425432 (E_RNA)
where:
Base-Base interactions energy: -38.210
where: short stacking energy: -30.414
Base-Backbone interact. energy: 0.917
local terms energy: -123.131958
where:
bonds (distance) C4'-P energy: -35.374
bonds (distance) P-C4' energy: -35.760
flat angles C4'-P-C4' energy: -31.679
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -162.332246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.332246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.332246 (E_RNA)
where:
Base-Base interactions energy: -57.755
where: short stacking energy: -39.404
Base-Backbone interact. energy: -1.068
local terms energy: -103.508940
where:
bonds (distance) C4'-P energy: -33.273
bonds (distance) P-C4' energy: -24.765
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -1.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -147.552396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.552396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.552396 (E_RNA)
where:
Base-Base interactions energy: -40.774
where: short stacking energy: -33.479
Base-Backbone interact. energy: 3.807
local terms energy: -110.585802
where:
bonds (distance) C4'-P energy: -35.378
bonds (distance) P-C4' energy: -33.762
flat angles C4'-P-C4' energy: -29.743
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -529.683957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.683957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.683957 (E_RNA)
where:
Base-Base interactions energy: -355.397
where: short stacking energy: -159.995
Base-Backbone interact. energy: -0.537
local terms energy: -173.750749
where:
bonds (distance) C4'-P energy: -37.637
bonds (distance) P-C4' energy: -29.594
flat angles C4'-P-C4' energy: -33.920
flat angles P-C4'-P energy: -28.730
tors. eta vs tors. theta energy: -43.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -499.524179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.524179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.524179 (E_RNA)
where:
Base-Base interactions energy: -319.616
where: short stacking energy: -164.456
Base-Backbone interact. energy: -0.503
local terms energy: -179.405299
where:
bonds (distance) C4'-P energy: -34.515
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -36.687
flat angles P-C4'-P energy: -30.141
tors. eta vs tors. theta energy: -48.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -419.115670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.115670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.115670 (E_RNA)
where:
Base-Base interactions energy: -269.345
where: short stacking energy: -119.138
Base-Backbone interact. energy: -0.018
local terms energy: -149.752629
where:
bonds (distance) C4'-P energy: -34.005
bonds (distance) P-C4' energy: -37.344
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -23.971
tors. eta vs tors. theta energy: -27.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -349.708814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.708814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.708814 (E_RNA)
where:
Base-Base interactions energy: -194.443
where: short stacking energy: -93.026
Base-Backbone interact. energy: 0.826
local terms energy: -156.091407
where:
bonds (distance) C4'-P energy: -31.087
bonds (distance) P-C4' energy: -38.367
flat angles C4'-P-C4' energy: -37.711
flat angles P-C4'-P energy: -24.194
tors. eta vs tors. theta energy: -24.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -380.243673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.243673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.243673 (E_RNA)
where:
Base-Base interactions energy: -229.693
where: short stacking energy: -120.313
Base-Backbone interact. energy: -0.202
local terms energy: -150.348768
where:
bonds (distance) C4'-P energy: -27.980
bonds (distance) P-C4' energy: -31.778
flat angles C4'-P-C4' energy: -34.883
flat angles P-C4'-P energy: -23.595
tors. eta vs tors. theta energy: -32.113
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: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -295.300009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.300009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.300009 (E_RNA)
where:
Base-Base interactions energy: -156.475
where: short stacking energy: -82.092
Base-Backbone interact. energy: -0.557
local terms energy: -138.267477
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -32.393
flat angles C4'-P-C4' energy: -27.212
flat angles P-C4'-P energy: -23.952
tors. eta vs tors. theta energy: -22.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -198.056114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.056114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.056114 (E_RNA)
where:
Base-Base interactions energy: -80.622
where: short stacking energy: -46.012
Base-Backbone interact. energy: -0.421
local terms energy: -117.013534
where:
bonds (distance) C4'-P energy: -28.668
bonds (distance) P-C4' energy: -36.282
flat angles C4'-P-C4' energy: -34.773
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -167.663872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.663872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.663872 (E_RNA)
where:
Base-Base interactions energy: -56.801
where: short stacking energy: -54.454
Base-Backbone interact. energy: -0.129
local terms energy: -110.733440
where:
bonds (distance) C4'-P energy: -32.507
bonds (distance) P-C4' energy: -36.644
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -17.014
tors. eta vs tors. theta energy: 1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -184.270878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.270878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.270878 (E_RNA)
where:
Base-Base interactions energy: -74.090
where: short stacking energy: -48.424
Base-Backbone interact. energy: 0.782
local terms energy: -110.962992
where:
bonds (distance) C4'-P energy: -28.814
bonds (distance) P-C4' energy: -37.122
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -142.324488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.324488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.324488 (E_RNA)
where:
Base-Base interactions energy: -50.956
where: short stacking energy: -46.761
Base-Backbone interact. energy: -0.449
local terms energy: -90.918763
where:
bonds (distance) C4'-P energy: -29.325
bonds (distance) P-C4' energy: -29.671
flat angles C4'-P-C4' energy: -31.288
flat angles P-C4'-P energy: -2.641
tors. eta vs tors. theta energy: 2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -537.583975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.583975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.583975 (E_RNA)
where:
Base-Base interactions energy: -364.247
where: short stacking energy: -137.517
Base-Backbone interact. energy: -1.562
local terms energy: -171.775016
where:
bonds (distance) C4'-P energy: -30.788
bonds (distance) P-C4' energy: -37.429
flat angles C4'-P-C4' energy: -38.786
flat angles P-C4'-P energy: -27.654
tors. eta vs tors. theta energy: -37.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -507.801024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.801024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.801024 (E_RNA)
where:
Base-Base interactions energy: -316.916
where: short stacking energy: -160.732
Base-Backbone interact. energy: -0.166
local terms energy: -190.718460
where:
bonds (distance) C4'-P energy: -35.731
bonds (distance) P-C4' energy: -34.520
flat angles C4'-P-C4' energy: -41.591
flat angles P-C4'-P energy: -29.094
tors. eta vs tors. theta energy: -49.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -436.423893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.423893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.423893 (E_RNA)
where:
Base-Base interactions energy: -279.307
where: short stacking energy: -129.206
Base-Backbone interact. energy: -0.561
local terms energy: -156.556039
where:
bonds (distance) C4'-P energy: -31.328
bonds (distance) P-C4' energy: -32.911
flat angles C4'-P-C4' energy: -30.939
flat angles P-C4'-P energy: -22.799
tors. eta vs tors. theta energy: -38.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -353.031766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.031766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.031766 (E_RNA)
where:
Base-Base interactions energy: -204.161
where: short stacking energy: -110.408
Base-Backbone interact. energy: -0.774
local terms energy: -148.097414
where:
bonds (distance) C4'-P energy: -36.956
bonds (distance) P-C4' energy: -31.135
flat angles C4'-P-C4' energy: -27.448
flat angles P-C4'-P energy: -17.119
tors. eta vs tors. theta energy: -35.441
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: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -346.540832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.540832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.540832 (E_RNA)
where:
Base-Base interactions energy: -206.170
where: short stacking energy: -92.811
Base-Backbone interact. energy: -0.345
local terms energy: -140.025816
where:
bonds (distance) C4'-P energy: -33.246
bonds (distance) P-C4' energy: -38.853
flat angles C4'-P-C4' energy: -27.093
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: -21.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -273.694646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.694646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.694646 (E_RNA)
where:
Base-Base interactions energy: -137.792
where: short stacking energy: -84.140
Base-Backbone interact. energy: -0.112
local terms energy: -135.790263
where:
bonds (distance) C4'-P energy: -32.875
bonds (distance) P-C4' energy: -27.662
flat angles C4'-P-C4' energy: -36.935
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -22.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -176.457613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.457613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.457613 (E_RNA)
where:
Base-Base interactions energy: -68.886
where: short stacking energy: -51.429
Base-Backbone interact. energy: -0.371
local terms energy: -107.200192
where:
bonds (distance) C4'-P energy: -35.784
bonds (distance) P-C4' energy: -27.164
flat angles C4'-P-C4' energy: -26.584
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -6.224
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: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -204.305008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.305008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.305008 (E_RNA)
where:
Base-Base interactions energy: -77.113
where: short stacking energy: -44.503
Base-Backbone interact. energy: -0.156
local terms energy: -127.036120
where:
bonds (distance) C4'-P energy: -30.229
bonds (distance) P-C4' energy: -39.611
flat angles C4'-P-C4' energy: -28.752
flat angles P-C4'-P energy: -21.117
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -145.294263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.294263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.294263 (E_RNA)
where:
Base-Base interactions energy: -35.654
where: short stacking energy: -26.882
Base-Backbone interact. energy: -0.041
local terms energy: -109.599542
where:
bonds (distance) C4'-P energy: -32.956
bonds (distance) P-C4' energy: -35.708
flat angles C4'-P-C4' energy: -27.894
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -154.375608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.375608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.375608 (E_RNA)
where:
Base-Base interactions energy: -51.393
where: short stacking energy: -38.628
Base-Backbone interact. energy: 0.167
local terms energy: -103.149952
where:
bonds (distance) C4'-P energy: -32.721
bonds (distance) P-C4' energy: -38.108
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: 1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -549.678108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.678108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.678108 (E_RNA)
where:
Base-Base interactions energy: -378.376
where: short stacking energy: -149.159
Base-Backbone interact. energy: -0.455
local terms energy: -170.847675
where:
bonds (distance) C4'-P energy: -27.900
bonds (distance) P-C4' energy: -35.883
flat angles C4'-P-C4' energy: -35.573
flat angles P-C4'-P energy: -27.082
tors. eta vs tors. theta energy: -44.409
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: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -494.090288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.090288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.090288 (E_RNA)
where:
Base-Base interactions energy: -317.956
where: short stacking energy: -155.143
Base-Backbone interact. energy: 0.330
local terms energy: -176.464779
where:
bonds (distance) C4'-P energy: -34.680
bonds (distance) P-C4' energy: -32.140
flat angles C4'-P-C4' energy: -41.248
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: -44.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -478.680208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.680208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.680208 (E_RNA)
where:
Base-Base interactions energy: -312.096
where: short stacking energy: -151.545
Base-Backbone interact. energy: -0.176
local terms energy: -166.408212
where:
bonds (distance) C4'-P energy: -23.628
bonds (distance) P-C4' energy: -39.031
flat angles C4'-P-C4' energy: -30.774
flat angles P-C4'-P energy: -23.874
tors. eta vs tors. theta energy: -49.101
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: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -336.779971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.779971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.779971 (E_RNA)
where:
Base-Base interactions energy: -192.525
where: short stacking energy: -96.133
Base-Backbone interact. energy: -0.576
local terms energy: -143.678988
where:
bonds (distance) C4'-P energy: -36.768
bonds (distance) P-C4' energy: -29.606
flat angles C4'-P-C4' energy: -32.469
flat angles P-C4'-P energy: -19.263
tors. eta vs tors. theta energy: -25.573
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: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -326.226739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.226739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.226739 (E_RNA)
where:
Base-Base interactions energy: -195.531
where: short stacking energy: -95.250
Base-Backbone interact. energy: -0.145
local terms energy: -130.550185
where:
bonds (distance) C4'-P energy: -28.479
bonds (distance) P-C4' energy: -27.027
flat angles C4'-P-C4' energy: -28.089
flat angles P-C4'-P energy: -23.117
tors. eta vs tors. theta energy: -23.837
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: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -281.806155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.806155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.806155 (E_RNA)
where:
Base-Base interactions energy: -155.955
where: short stacking energy: -79.833
Base-Backbone interact. energy: -0.236
local terms energy: -125.615315
where:
bonds (distance) C4'-P energy: -29.472
bonds (distance) P-C4' energy: -35.434
flat angles C4'-P-C4' energy: -29.383
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: -10.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -180.851755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.851755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.851755 (E_RNA)
where:
Base-Base interactions energy: -77.996
where: short stacking energy: -50.891
Base-Backbone interact. energy: -0.363
local terms energy: -102.492164
where:
bonds (distance) C4'-P energy: -27.875
bonds (distance) P-C4' energy: -32.805
flat angles C4'-P-C4' energy: -30.224
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -174.562943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.562943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.562943 (E_RNA)
where:
Base-Base interactions energy: -77.980
where: short stacking energy: -51.334
Base-Backbone interact. energy: 2.098
local terms energy: -98.681299
where:
bonds (distance) C4'-P energy: -32.541
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -27.006
flat angles P-C4'-P energy: -18.170
tors. eta vs tors. theta energy: 1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -169.608616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.608616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.608616 (E_RNA)
where:
Base-Base interactions energy: -81.278
where: short stacking energy: -49.365
Base-Backbone interact. energy: 0.732
local terms energy: -89.062379
where:
bonds (distance) C4'-P energy: -25.377
bonds (distance) P-C4' energy: -29.024
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -147.912049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.912049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.912049 (E_RNA)
where:
Base-Base interactions energy: -48.701
where: short stacking energy: -26.268
Base-Backbone interact. energy: 1.060
local terms energy: -100.271403
where:
bonds (distance) C4'-P energy: -34.927
bonds (distance) P-C4' energy: -24.929
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -18.552
tors. eta vs tors. theta energy: 3.797
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: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -539.365601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.365601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.365601 (E_RNA)
where:
Base-Base interactions energy: -362.147
where: short stacking energy: -146.113
Base-Backbone interact. energy: 0.132
local terms energy: -177.350215
where:
bonds (distance) C4'-P energy: -35.088
bonds (distance) P-C4' energy: -33.367
flat angles C4'-P-C4' energy: -38.304
flat angles P-C4'-P energy: -28.799
tors. eta vs tors. theta energy: -41.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -486.746994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.746994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.746994 (E_RNA)
where:
Base-Base interactions energy: -316.873
where: short stacking energy: -151.824
Base-Backbone interact. energy: -1.158
local terms energy: -168.715877
where:
bonds (distance) C4'-P energy: -29.861
bonds (distance) P-C4' energy: -37.611
flat angles C4'-P-C4' energy: -36.709
flat angles P-C4'-P energy: -21.458
tors. eta vs tors. theta energy: -43.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -478.857938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.857938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.857938 (E_RNA)
where:
Base-Base interactions energy: -308.822
where: short stacking energy: -150.824
Base-Backbone interact. energy: -0.326
local terms energy: -169.710205
where:
bonds (distance) C4'-P energy: -30.605
bonds (distance) P-C4' energy: -29.358
flat angles C4'-P-C4' energy: -35.342
flat angles P-C4'-P energy: -26.663
tors. eta vs tors. theta energy: -47.742
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: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -308.118899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.118899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.118899 (E_RNA)
where:
Base-Base interactions energy: -176.320
where: short stacking energy: -87.795
Base-Backbone interact. energy: 0.701
local terms energy: -132.500350
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -39.333
flat angles C4'-P-C4' energy: -31.322
flat angles P-C4'-P energy: -15.840
tors. eta vs tors. theta energy: -14.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -300.909305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.909305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.909305 (E_RNA)
where:
Base-Base interactions energy: -165.117
where: short stacking energy: -83.482
Base-Backbone interact. energy: -0.461
local terms energy: -135.331531
where:
bonds (distance) C4'-P energy: -37.411
bonds (distance) P-C4' energy: -30.317
flat angles C4'-P-C4' energy: -29.561
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -25.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -331.601848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.601848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.601848 (E_RNA)
where:
Base-Base interactions energy: -202.679
where: short stacking energy: -103.040
Base-Backbone interact. energy: 0.369
local terms energy: -129.291244
where:
bonds (distance) C4'-P energy: -34.218
bonds (distance) P-C4' energy: -31.570
flat angles C4'-P-C4' energy: -26.624
flat angles P-C4'-P energy: -17.832
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -176.079557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.079557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.079557 (E_RNA)
where:
Base-Base interactions energy: -66.023
where: short stacking energy: -38.269
Base-Backbone interact. energy: 0.111
local terms energy: -110.167654
where:
bonds (distance) C4'-P energy: -31.759
bonds (distance) P-C4' energy: -27.170
flat angles C4'-P-C4' energy: -29.484
flat angles P-C4'-P energy: -23.382
tors. eta vs tors. theta energy: 1.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -170.743863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.743863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.743863 (E_RNA)
where:
Base-Base interactions energy: -49.838
where: short stacking energy: -32.919
Base-Backbone interact. energy: -0.205
local terms energy: -120.700617
where:
bonds (distance) C4'-P energy: -34.372
bonds (distance) P-C4' energy: -40.772
flat angles C4'-P-C4' energy: -29.378
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -212.065281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.065281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.065281 (E_RNA)
where:
Base-Base interactions energy: -107.913
where: short stacking energy: -58.118
Base-Backbone interact. energy: -0.526
local terms energy: -103.626743
where:
bonds (distance) C4'-P energy: -35.927
bonds (distance) P-C4' energy: -36.870
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: 5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -155.293937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.293937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.293937 (E_RNA)
where:
Base-Base interactions energy: -59.824
where: short stacking energy: -50.908
Base-Backbone interact. energy: 0.888
local terms energy: -96.358276
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -30.008
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -20.503
tors. eta vs tors. theta energy: -0.384
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: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -535.487976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.487976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.487976 (E_RNA)
where:
Base-Base interactions energy: -355.468
where: short stacking energy: -137.037
Base-Backbone interact. energy: -0.752
local terms energy: -179.268192
where:
bonds (distance) C4'-P energy: -34.681
bonds (distance) P-C4' energy: -39.308
flat angles C4'-P-C4' energy: -36.898
flat angles P-C4'-P energy: -26.822
tors. eta vs tors. theta energy: -41.559
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: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -486.282233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.282233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.282233 (E_RNA)
where:
Base-Base interactions energy: -318.914
where: short stacking energy: -157.044
Base-Backbone interact. energy: 4.148
local terms energy: -171.516191
where:
bonds (distance) C4'-P energy: -34.132
bonds (distance) P-C4' energy: -40.574
flat angles C4'-P-C4' energy: -35.981
flat angles P-C4'-P energy: -19.070
tors. eta vs tors. theta energy: -41.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -482.018249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.018249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.018249 (E_RNA)
where:
Base-Base interactions energy: -308.555
where: short stacking energy: -144.838
Base-Backbone interact. energy: -0.009
local terms energy: -173.454673
where:
bonds (distance) C4'-P energy: -34.973
bonds (distance) P-C4' energy: -34.474
flat angles C4'-P-C4' energy: -33.061
flat angles P-C4'-P energy: -18.514
tors. eta vs tors. theta energy: -52.433
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: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -360.232237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.232237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.232237 (E_RNA)
where:
Base-Base interactions energy: -218.991
where: short stacking energy: -115.966
Base-Backbone interact. energy: 0.460
local terms energy: -141.701553
where:
bonds (distance) C4'-P energy: -31.872
bonds (distance) P-C4' energy: -33.083
flat angles C4'-P-C4' energy: -30.878
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -31.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -212.987337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.987337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.987337 (E_RNA)
where:
Base-Base interactions energy: -91.649
where: short stacking energy: -44.926
Base-Backbone interact. energy: -0.780
local terms energy: -120.558291
where:
bonds (distance) C4'-P energy: -33.112
bonds (distance) P-C4' energy: -32.922
flat angles C4'-P-C4' energy: -32.903
flat angles P-C4'-P energy: -21.974
tors. eta vs tors. theta energy: 0.353
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: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -340.318418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.318418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.318418 (E_RNA)
where:
Base-Base interactions energy: -212.362
where: short stacking energy: -100.049
Base-Backbone interact. energy: -0.218
local terms energy: -127.738853
where:
bonds (distance) C4'-P energy: -23.654
bonds (distance) P-C4' energy: -30.975
flat angles C4'-P-C4' energy: -29.846
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -26.382
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: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -174.867789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.867789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.867789 (E_RNA)
where:
Base-Base interactions energy: -59.345
where: short stacking energy: -36.496
Base-Backbone interact. energy: -0.688
local terms energy: -114.834347
where:
bonds (distance) C4'-P energy: -33.639
bonds (distance) P-C4' energy: -34.761
flat angles C4'-P-C4' energy: -33.611
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: 7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -182.178371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.178371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.178371 (E_RNA)
where:
Base-Base interactions energy: -61.499
where: short stacking energy: -52.443
Base-Backbone interact. energy: -0.258
local terms energy: -120.420879
where:
bonds (distance) C4'-P energy: -31.783
bonds (distance) P-C4' energy: -35.702
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -18.436
tors. eta vs tors. theta energy: -11.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -171.409096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.409096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.409096 (E_RNA)
where:
Base-Base interactions energy: -62.775
where: short stacking energy: -37.860
Base-Backbone interact. energy: 0.734
local terms energy: -109.367488
where:
bonds (distance) C4'-P energy: -30.921
bonds (distance) P-C4' energy: -29.883
flat angles C4'-P-C4' energy: -31.495
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -174.033257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.033257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.033257 (E_RNA)
where:
Base-Base interactions energy: -56.420
where: short stacking energy: -55.370
Base-Backbone interact. energy: -1.313
local terms energy: -116.300660
where:
bonds (distance) C4'-P energy: -31.555
bonds (distance) P-C4' energy: -28.242
flat angles C4'-P-C4' energy: -37.581
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -515.863886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.863886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.863886 (E_RNA)
where:
Base-Base interactions energy: -335.132
where: short stacking energy: -161.565
Base-Backbone interact. energy: -0.119
local terms energy: -180.612891
where:
bonds (distance) C4'-P energy: -35.586
bonds (distance) P-C4' energy: -34.637
flat angles C4'-P-C4' energy: -31.850
flat angles P-C4'-P energy: -25.600
tors. eta vs tors. theta energy: -52.940
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: 78
Temperature: 0.950000
Total energy: -539.942998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.942998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.942998 (E_RNA)
where:
Base-Base interactions energy: -353.789
where: short stacking energy: -139.387
Base-Backbone interact. energy: 0.572
local terms energy: -186.725318
where:
bonds (distance) C4'-P energy: -34.894
bonds (distance) P-C4' energy: -35.145
flat angles C4'-P-C4' energy: -39.286
flat angles P-C4'-P energy: -27.353
tors. eta vs tors. theta energy: -50.047
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: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -483.174338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.174338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.174338 (E_RNA)
where:
Base-Base interactions energy: -308.869
where: short stacking energy: -139.910
Base-Backbone interact. energy: -0.185
local terms energy: -174.120097
where:
bonds (distance) C4'-P energy: -29.259
bonds (distance) P-C4' energy: -35.772
flat angles C4'-P-C4' energy: -35.074
flat angles P-C4'-P energy: -25.141
tors. eta vs tors. theta energy: -48.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -342.572003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.572003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.572003 (E_RNA)
where:
Base-Base interactions energy: -194.739
where: short stacking energy: -101.461
Base-Backbone interact. energy: 1.430
local terms energy: -149.262623
where:
bonds (distance) C4'-P energy: -33.529
bonds (distance) P-C4' energy: -37.752
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -23.204
tors. eta vs tors. theta energy: -30.342
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: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -385.645856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.645856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.645856 (E_RNA)
where:
Base-Base interactions energy: -240.834
where: short stacking energy: -103.430
Base-Backbone interact. energy: -0.298
local terms energy: -144.513605
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -31.443
flat angles C4'-P-C4' energy: -36.505
flat angles P-C4'-P energy: -22.503
tors. eta vs tors. theta energy: -23.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -227.887471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.887471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.887471 (E_RNA)
where:
Base-Base interactions energy: -123.555
where: short stacking energy: -78.689
Base-Backbone interact. energy: 0.100
local terms energy: -104.432553
where:
bonds (distance) C4'-P energy: -28.472
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -32.803
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -7.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -216.806079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.806079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.806079 (E_RNA)
where:
Base-Base interactions energy: -89.245
where: short stacking energy: -72.561
Base-Backbone interact. energy: -0.437
local terms energy: -127.124350
where:
bonds (distance) C4'-P energy: -29.742
bonds (distance) P-C4' energy: -30.225
flat angles C4'-P-C4' energy: -30.513
flat angles P-C4'-P energy: -26.684
tors. eta vs tors. theta energy: -9.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -177.938927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.938927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.938927 (E_RNA)
where:
Base-Base interactions energy: -58.125
where: short stacking energy: -53.293
Base-Backbone interact. energy: -0.334
local terms energy: -119.479514
where:
bonds (distance) C4'-P energy: -30.192
bonds (distance) P-C4' energy: -33.555
flat angles C4'-P-C4' energy: -32.654
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -6.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -184.625234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.625234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.625234 (E_RNA)
where:
Base-Base interactions energy: -69.088
where: short stacking energy: -52.613
Base-Backbone interact. energy: -0.207
local terms energy: -115.330352
where:
bonds (distance) C4'-P energy: -29.410
bonds (distance) P-C4' energy: -31.146
flat angles C4'-P-C4' energy: -29.032
flat angles P-C4'-P energy: -19.124
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -134.281705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.281705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.281705 (E_RNA)
where:
Base-Base interactions energy: -45.450
where: short stacking energy: -33.913
Base-Backbone interact. energy: -0.726
local terms energy: -88.105840
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -35.954
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -516.330299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.330299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.330299 (E_RNA)
where:
Base-Base interactions energy: -325.087
where: short stacking energy: -164.458
Base-Backbone interact. energy: -0.528
local terms energy: -190.714826
where:
bonds (distance) C4'-P energy: -39.963
bonds (distance) P-C4' energy: -35.257
flat angles C4'-P-C4' energy: -35.261
flat angles P-C4'-P energy: -26.630
tors. eta vs tors. theta energy: -53.604
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: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -511.724588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.724588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.724588 (E_RNA)
where:
Base-Base interactions energy: -343.128
where: short stacking energy: -130.467
Base-Backbone interact. energy: -0.571
local terms energy: -168.025133
where:
bonds (distance) C4'-P energy: -32.307
bonds (distance) P-C4' energy: -38.632
flat angles C4'-P-C4' energy: -34.759
flat angles P-C4'-P energy: -21.757
tors. eta vs tors. theta energy: -40.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -471.676291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.676291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.676291 (E_RNA)
where:
Base-Base interactions energy: -299.516
where: short stacking energy: -137.044
Base-Backbone interact. energy: -1.497
local terms energy: -170.662778
where:
bonds (distance) C4'-P energy: -33.873
bonds (distance) P-C4' energy: -35.967
flat angles C4'-P-C4' energy: -36.529
flat angles P-C4'-P energy: -24.464
tors. eta vs tors. theta energy: -39.830
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: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -436.112077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.112077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.112077 (E_RNA)
where:
Base-Base interactions energy: -278.676
where: short stacking energy: -135.897
Base-Backbone interact. energy: -0.091
local terms energy: -157.345009
where:
bonds (distance) C4'-P energy: -25.341
bonds (distance) P-C4' energy: -32.270
flat angles C4'-P-C4' energy: -33.124
flat angles P-C4'-P energy: -24.452
tors. eta vs tors. theta energy: -42.159
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: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -358.223277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.223277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.223277 (E_RNA)
where:
Base-Base interactions energy: -208.885
where: short stacking energy: -108.813
Base-Backbone interact. energy: -0.200
local terms energy: -149.138503
where:
bonds (distance) C4'-P energy: -29.362
bonds (distance) P-C4' energy: -35.028
flat angles C4'-P-C4' energy: -35.199
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -35.975
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: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -248.226697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.226697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.226697 (E_RNA)
where:
Base-Base interactions energy: -132.138
where: short stacking energy: -69.913
Base-Backbone interact. energy: 0.620
local terms energy: -116.708773
where:
bonds (distance) C4'-P energy: -25.511
bonds (distance) P-C4' energy: -34.249
flat angles C4'-P-C4' energy: -28.107
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -12.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -163.945358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.945358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.945358 (E_RNA)
where:
Base-Base interactions energy: -48.970
where: short stacking energy: -48.597
Base-Backbone interact. energy: -0.495
local terms energy: -114.480349
where:
bonds (distance) C4'-P energy: -22.017
bonds (distance) P-C4' energy: -38.761
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -9.364
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: 2
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -163.635423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.635423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.635423 (E_RNA)
where:
Base-Base interactions energy: -57.341
where: short stacking energy: -51.015
Base-Backbone interact. energy: 1.180
local terms energy: -107.473781
where:
bonds (distance) C4'-P energy: -34.183
bonds (distance) P-C4' energy: -29.066
flat angles C4'-P-C4' energy: -25.717
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -2.750
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: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -158.877364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.877364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.877364 (E_RNA)
where:
Base-Base interactions energy: -53.770
where: short stacking energy: -40.642
Base-Backbone interact. energy: 0.076
local terms energy: -105.183327
where:
bonds (distance) C4'-P energy: -29.817
bonds (distance) P-C4' energy: -25.865
flat angles C4'-P-C4' energy: -25.410
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -5.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -152.475126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.475126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.475126 (E_RNA)
where:
Base-Base interactions energy: -46.492
where: short stacking energy: -36.255
Base-Backbone interact. energy: 1.309
local terms energy: -107.291764
where:
bonds (distance) C4'-P energy: -34.809
bonds (distance) P-C4' energy: -31.911
flat angles C4'-P-C4' energy: -28.596
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: 1.009
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: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -538.864392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.864392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.864392 (E_RNA)
where:
Base-Base interactions energy: -358.950
where: short stacking energy: -146.061
Base-Backbone interact. energy: -0.529
local terms energy: -179.385462
where:
bonds (distance) C4'-P energy: -35.023
bonds (distance) P-C4' energy: -35.292
flat angles C4'-P-C4' energy: -38.452
flat angles P-C4'-P energy: -29.493
tors. eta vs tors. theta energy: -41.125
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: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -482.923014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.923014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.923014 (E_RNA)
where:
Base-Base interactions energy: -311.165
where: short stacking energy: -136.961
Base-Backbone interact. energy: -0.467
local terms energy: -171.291270
where:
bonds (distance) C4'-P energy: -31.423
bonds (distance) P-C4' energy: -35.668
flat angles C4'-P-C4' energy: -38.617
flat angles P-C4'-P energy: -26.198
tors. eta vs tors. theta energy: -39.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -463.844502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.844502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.844502 (E_RNA)
where:
Base-Base interactions energy: -298.888
where: short stacking energy: -143.620
Base-Backbone interact. energy: -1.117
local terms energy: -163.839847
where:
bonds (distance) C4'-P energy: -30.283
bonds (distance) P-C4' energy: -34.566
flat angles C4'-P-C4' energy: -33.046
flat angles P-C4'-P energy: -23.461
tors. eta vs tors. theta energy: -42.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -419.573149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.573149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.573149 (E_RNA)
where:
Base-Base interactions energy: -263.916
where: short stacking energy: -125.568
Base-Backbone interact. energy: -0.862
local terms energy: -154.795787
where:
bonds (distance) C4'-P energy: -30.102
bonds (distance) P-C4' energy: -38.541
flat angles C4'-P-C4' energy: -29.501
flat angles P-C4'-P energy: -24.556
tors. eta vs tors. theta energy: -32.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -363.471029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.471029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.471029 (E_RNA)
where:
Base-Base interactions energy: -219.351
where: short stacking energy: -98.375
Base-Backbone interact. energy: 0.758
local terms energy: -144.878118
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -31.376
flat angles C4'-P-C4' energy: -37.831
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -28.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -233.776218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.776218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.776218 (E_RNA)
where:
Base-Base interactions energy: -111.032
where: short stacking energy: -72.164
Base-Backbone interact. energy: -0.125
local terms energy: -122.619546
where:
bonds (distance) C4'-P energy: -29.876
bonds (distance) P-C4' energy: -30.571
flat angles C4'-P-C4' energy: -34.163
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -11.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -188.075835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.075835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.075835 (E_RNA)
where:
Base-Base interactions energy: -73.105
where: short stacking energy: -55.965
Base-Backbone interact. energy: -0.260
local terms energy: -114.710498
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -33.777
flat angles C4'-P-C4' energy: -30.467
flat angles P-C4'-P energy: -20.701
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -156.933448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.933448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.933448 (E_RNA)
where:
Base-Base interactions energy: -51.852
where: short stacking energy: -47.154
Base-Backbone interact. energy: 2.639
local terms energy: -107.720496
where:
bonds (distance) C4'-P energy: -29.771
bonds (distance) P-C4' energy: -30.888
flat angles C4'-P-C4' energy: -33.863
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: 3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -152.953935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.953935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.953935 (E_RNA)
where:
Base-Base interactions energy: -62.533
where: short stacking energy: -27.270
Base-Backbone interact. energy: -1.034
local terms energy: -89.386999
where:
bonds (distance) C4'-P energy: -38.104
bonds (distance) P-C4' energy: -26.742
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: 10.789
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: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -147.661150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.661150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.661150 (E_RNA)
where:
Base-Base interactions energy: -41.905
where: short stacking energy: -38.140
Base-Backbone interact. energy: -0.606
local terms energy: -105.150191
where:
bonds (distance) C4'-P energy: -27.101
bonds (distance) P-C4' energy: -36.672
flat angles C4'-P-C4' energy: -21.585
flat angles P-C4'-P energy: -21.697
tors. eta vs tors. theta energy: 1.905
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: 81
Temperature: 0.900000
Total energy: -530.252863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.252863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.252863 (E_RNA)
where:
Base-Base interactions energy: -358.152
where: short stacking energy: -147.294
Base-Backbone interact. energy: -0.494
local terms energy: -171.606649
where:
bonds (distance) C4'-P energy: -32.224
bonds (distance) P-C4' energy: -37.453
flat angles C4'-P-C4' energy: -37.045
flat angles P-C4'-P energy: -25.491
tors. eta vs tors. theta energy: -39.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -471.538848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.538848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.538848 (E_RNA)
where:
Base-Base interactions energy: -307.376
where: short stacking energy: -139.824
Base-Backbone interact. energy: -0.311
local terms energy: -163.852000
where:
bonds (distance) C4'-P energy: -33.985
bonds (distance) P-C4' energy: -37.421
flat angles C4'-P-C4' energy: -32.800
flat angles P-C4'-P energy: -21.286
tors. eta vs tors. theta energy: -38.359
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: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -476.810466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.810466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.810466 (E_RNA)
where:
Base-Base interactions energy: -302.424
where: short stacking energy: -142.152
Base-Backbone interact. energy: 1.655
local terms energy: -176.041197
where:
bonds (distance) C4'-P energy: -35.142
bonds (distance) P-C4' energy: -36.331
flat angles C4'-P-C4' energy: -34.778
flat angles P-C4'-P energy: -26.338
tors. eta vs tors. theta energy: -43.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -416.297026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.297026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.297026 (E_RNA)
where:
Base-Base interactions energy: -261.958
where: short stacking energy: -123.744
Base-Backbone interact. energy: 3.050
local terms energy: -157.388943
where:
bonds (distance) C4'-P energy: -33.051
bonds (distance) P-C4' energy: -36.413
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -23.621
tors. eta vs tors. theta energy: -35.086
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: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -375.417958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.417958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.417958 (E_RNA)
where:
Base-Base interactions energy: -234.248
where: short stacking energy: -89.242
Base-Backbone interact. energy: -0.443
local terms energy: -140.726518
where:
bonds (distance) C4'-P energy: -32.827
bonds (distance) P-C4' energy: -33.558
flat angles C4'-P-C4' energy: -34.110
flat angles P-C4'-P energy: -18.867
tors. eta vs tors. theta energy: -21.364
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: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -252.743678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.743678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.743678 (E_RNA)
where:
Base-Base interactions energy: -126.296
where: short stacking energy: -85.026
Base-Backbone interact. energy: -0.608
local terms energy: -125.839269
where:
bonds (distance) C4'-P energy: -27.025
bonds (distance) P-C4' energy: -37.794
flat angles C4'-P-C4' energy: -29.348
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -203.327555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.327555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.327555 (E_RNA)
where:
Base-Base interactions energy: -98.364
where: short stacking energy: -60.314
Base-Backbone interact. energy: -1.046
local terms energy: -103.917819
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -38.422
flat angles C4'-P-C4' energy: -25.421
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -7.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -178.222148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.222148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.222148 (E_RNA)
where:
Base-Base interactions energy: -56.500
where: short stacking energy: -49.800
Base-Backbone interact. energy: -0.543
local terms energy: -121.179075
where:
bonds (distance) C4'-P energy: -33.744
bonds (distance) P-C4' energy: -35.296
flat angles C4'-P-C4' energy: -31.749
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -203.870862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.870862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.870862 (E_RNA)
where:
Base-Base interactions energy: -94.881
where: short stacking energy: -59.228
Base-Backbone interact. energy: -0.797
local terms energy: -108.193223
where:
bonds (distance) C4'-P energy: -26.253
bonds (distance) P-C4' energy: -34.177
flat angles C4'-P-C4' energy: -32.064
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -9.808
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: 10, replica: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -157.408349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.408349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.408349 (E_RNA)
where:
Base-Base interactions energy: -49.197
where: short stacking energy: -40.703
Base-Backbone interact. energy: -1.559
local terms energy: -106.652352
where:
bonds (distance) C4'-P energy: -25.603
bonds (distance) P-C4' energy: -41.222
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: 3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -533.620087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.620087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.620087 (E_RNA)
where:
Base-Base interactions energy: -354.604
where: short stacking energy: -144.781
Base-Backbone interact. energy: -1.001
local terms energy: -178.015415
where:
bonds (distance) C4'-P energy: -34.298
bonds (distance) P-C4' energy: -33.528
flat angles C4'-P-C4' energy: -42.044
flat angles P-C4'-P energy: -22.694
tors. eta vs tors. theta energy: -45.452
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: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -485.842130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.842130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.842130 (E_RNA)
where:
Base-Base interactions energy: -301.072
where: short stacking energy: -150.445
Base-Backbone interact. energy: -0.218
local terms energy: -184.551689
where:
bonds (distance) C4'-P energy: -37.759
bonds (distance) P-C4' energy: -40.049
flat angles C4'-P-C4' energy: -37.409
flat angles P-C4'-P energy: -22.327
tors. eta vs tors. theta energy: -47.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -491.062108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.062108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.062108 (E_RNA)
where:
Base-Base interactions energy: -315.324
where: short stacking energy: -144.155
Base-Backbone interact. energy: 2.036
local terms energy: -177.774101
where:
bonds (distance) C4'-P energy: -36.003
bonds (distance) P-C4' energy: -35.559
flat angles C4'-P-C4' energy: -31.888
flat angles P-C4'-P energy: -27.250
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: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -431.146827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.146827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.146827 (E_RNA)
where:
Base-Base interactions energy: -275.471
where: short stacking energy: -132.384
Base-Backbone interact. energy: -1.172
local terms energy: -154.503960
where:
bonds (distance) C4'-P energy: -36.426
bonds (distance) P-C4' energy: -29.355
flat angles C4'-P-C4' energy: -28.364
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -38.578
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: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -379.231069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.231069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.231069 (E_RNA)
where:
Base-Base interactions energy: -236.893
where: short stacking energy: -110.105
Base-Backbone interact. energy: -0.554
local terms energy: -141.783533
where:
bonds (distance) C4'-P energy: -32.348
bonds (distance) P-C4' energy: -32.431
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -27.180
tors. eta vs tors. theta energy: -28.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -247.217225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.217225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.217225 (E_RNA)
where:
Base-Base interactions energy: -117.642
where: short stacking energy: -86.417
Base-Backbone interact. energy: -0.336
local terms energy: -129.238588
where:
bonds (distance) C4'-P energy: -29.255
bonds (distance) P-C4' energy: -36.106
flat angles C4'-P-C4' energy: -28.397
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -210.194851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.194851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.194851 (E_RNA)
where:
Base-Base interactions energy: -90.723
where: short stacking energy: -64.978
Base-Backbone interact. energy: -0.413
local terms energy: -119.058722
where:
bonds (distance) C4'-P energy: -30.890
bonds (distance) P-C4' energy: -37.397
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -8.624
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: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -218.020529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.020529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.020529 (E_RNA)
where:
Base-Base interactions energy: -115.220
where: short stacking energy: -73.652
Base-Backbone interact. energy: 2.456
local terms energy: -105.256069
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -31.193
flat angles C4'-P-C4' energy: -27.147
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -11.988
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: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -158.929046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.929046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.929046 (E_RNA)
where:
Base-Base interactions energy: -61.602
where: short stacking energy: -53.629
Base-Backbone interact. energy: -0.181
local terms energy: -97.146351
where:
bonds (distance) C4'-P energy: -26.118
bonds (distance) P-C4' energy: -33.345
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -2.349
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: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -146.641534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.641534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.641534 (E_RNA)
where:
Base-Base interactions energy: -41.855
where: short stacking energy: -37.124
Base-Backbone interact. energy: -0.625
local terms energy: -104.161617
where:
bonds (distance) C4'-P energy: -36.167
bonds (distance) P-C4' energy: -30.447
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: 1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -518.476711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.476711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.476711 (E_RNA)
where:
Base-Base interactions energy: -341.327
where: short stacking energy: -148.711
Base-Backbone interact. energy: -0.075
local terms energy: -177.075262
where:
bonds (distance) C4'-P energy: -37.481
bonds (distance) P-C4' energy: -38.390
flat angles C4'-P-C4' energy: -33.178
flat angles P-C4'-P energy: -28.623
tors. eta vs tors. theta energy: -39.402
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: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -492.492026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.492026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.492026 (E_RNA)
where:
Base-Base interactions energy: -315.682
where: short stacking energy: -143.759
Base-Backbone interact. energy: -0.902
local terms energy: -175.907775
where:
bonds (distance) C4'-P energy: -35.337
bonds (distance) P-C4' energy: -37.557
flat angles C4'-P-C4' energy: -35.218
flat angles P-C4'-P energy: -21.351
tors. eta vs tors. theta energy: -46.445
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: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -451.733726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.733726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.733726 (E_RNA)
where:
Base-Base interactions energy: -279.040
where: short stacking energy: -131.672
Base-Backbone interact. energy: -0.599
local terms energy: -172.094805
where:
bonds (distance) C4'-P energy: -40.124
bonds (distance) P-C4' energy: -28.103
flat angles C4'-P-C4' energy: -39.268
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: -42.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -398.803172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.803172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.803172 (E_RNA)
where:
Base-Base interactions energy: -254.423
where: short stacking energy: -107.357
Base-Backbone interact. energy: 0.734
local terms energy: -145.114485
where:
bonds (distance) C4'-P energy: -31.581
bonds (distance) P-C4' energy: -32.820
flat angles C4'-P-C4' energy: -31.941
flat angles P-C4'-P energy: -19.633
tors. eta vs tors. theta energy: -29.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -422.529709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.529709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.529709 (E_RNA)
where:
Base-Base interactions energy: -280.094
where: short stacking energy: -133.100
Base-Backbone interact. energy: -0.441
local terms energy: -141.994045
where:
bonds (distance) C4'-P energy: -33.366
bonds (distance) P-C4' energy: -31.321
flat angles C4'-P-C4' energy: -30.784
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -38.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -191.044895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.044895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.044895 (E_RNA)
where:
Base-Base interactions energy: -70.116
where: short stacking energy: -68.471
Base-Backbone interact. energy: -0.967
local terms energy: -119.961686
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -31.978
flat angles C4'-P-C4' energy: -27.687
flat angles P-C4'-P energy: -21.385
tors. eta vs tors. theta energy: -5.198
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: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -249.613397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.613397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.613397 (E_RNA)
where:
Base-Base interactions energy: -121.572
where: short stacking energy: -53.951
Base-Backbone interact. energy: -0.084
local terms energy: -127.956565
where:
bonds (distance) C4'-P energy: -34.617
bonds (distance) P-C4' energy: -35.890
flat angles C4'-P-C4' energy: -37.993
flat angles P-C4'-P energy: -20.660
tors. eta vs tors. theta energy: 1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -206.038548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.038548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.038548 (E_RNA)
where:
Base-Base interactions energy: -87.958
where: short stacking energy: -52.506
Base-Backbone interact. energy: -0.364
local terms energy: -117.716929
where:
bonds (distance) C4'-P energy: -28.081
bonds (distance) P-C4' energy: -26.820
flat angles C4'-P-C4' energy: -37.223
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: -10.481
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: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -151.886476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.886476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.886476 (E_RNA)
where:
Base-Base interactions energy: -44.137
where: short stacking energy: -42.612
Base-Backbone interact. energy: -0.024
local terms energy: -107.724916
where:
bonds (distance) C4'-P energy: -32.156
bonds (distance) P-C4' energy: -32.303
flat angles C4'-P-C4' energy: -30.355
flat angles P-C4'-P energy: -20.548
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: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -156.129810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.129810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.129810 (E_RNA)
where:
Base-Base interactions energy: -53.788
where: short stacking energy: -43.738
Base-Backbone interact. energy: 0.407
local terms energy: -102.748435
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -33.470
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -21.676
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: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -528.478779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.478779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.478779 (E_RNA)
where:
Base-Base interactions energy: -358.062
where: short stacking energy: -156.926
Base-Backbone interact. energy: 0.513
local terms energy: -170.929581
where:
bonds (distance) C4'-P energy: -34.114
bonds (distance) P-C4' energy: -34.253
flat angles C4'-P-C4' energy: -31.962
flat angles P-C4'-P energy: -25.698
tors. eta vs tors. theta energy: -44.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -490.199476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.199476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.199476 (E_RNA)
where:
Base-Base interactions energy: -313.882
where: short stacking energy: -145.618
Base-Backbone interact. energy: -0.215
local terms energy: -176.102598
where:
bonds (distance) C4'-P energy: -33.457
bonds (distance) P-C4' energy: -35.674
flat angles C4'-P-C4' energy: -37.436
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -47.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -462.225925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.225925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.225925 (E_RNA)
where:
Base-Base interactions energy: -289.658
where: short stacking energy: -141.363
Base-Backbone interact. energy: -0.043
local terms energy: -172.524393
where:
bonds (distance) C4'-P energy: -32.034
bonds (distance) P-C4' energy: -32.327
flat angles C4'-P-C4' energy: -30.802
flat angles P-C4'-P energy: -30.290
tors. eta vs tors. theta energy: -47.071
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: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -423.715096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.715096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.715096 (E_RNA)
where:
Base-Base interactions energy: -264.856
where: short stacking energy: -111.612
Base-Backbone interact. energy: -0.739
local terms energy: -158.120179
where:
bonds (distance) C4'-P energy: -34.353
bonds (distance) P-C4' energy: -32.277
flat angles C4'-P-C4' energy: -41.606
flat angles P-C4'-P energy: -22.173
tors. eta vs tors. theta energy: -27.711
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: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -419.966599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.966599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.966599 (E_RNA)
where:
Base-Base interactions energy: -251.554
where: short stacking energy: -126.293
Base-Backbone interact. energy: -0.336
local terms energy: -168.076635
where:
bonds (distance) C4'-P energy: -36.164
bonds (distance) P-C4' energy: -31.644
flat angles C4'-P-C4' energy: -38.715
flat angles P-C4'-P energy: -20.453
tors. eta vs tors. theta energy: -41.101
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: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -196.358186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.358186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.358186 (E_RNA)
where:
Base-Base interactions energy: -77.808
where: short stacking energy: -69.101
Base-Backbone interact. energy: -1.351
local terms energy: -117.199352
where:
bonds (distance) C4'-P energy: -31.363
bonds (distance) P-C4' energy: -33.190
flat angles C4'-P-C4' energy: -29.215
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -246.120971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.120971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.120971 (E_RNA)
where:
Base-Base interactions energy: -131.136
where: short stacking energy: -60.253
Base-Backbone interact. energy: -0.556
local terms energy: -114.428400
where:
bonds (distance) C4'-P energy: -27.571
bonds (distance) P-C4' energy: -30.120
flat angles C4'-P-C4' energy: -25.244
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -174.885560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.885560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.885560 (E_RNA)
where:
Base-Base interactions energy: -54.180
where: short stacking energy: -51.320
Base-Backbone interact. energy: 3.459
local terms energy: -124.164870
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -30.376
flat angles C4'-P-C4' energy: -33.224
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -155.772263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.772263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.772263 (E_RNA)
where:
Base-Base interactions energy: -46.979
where: short stacking energy: -42.183
Base-Backbone interact. energy: 0.463
local terms energy: -109.256507
where:
bonds (distance) C4'-P energy: -28.018
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -20.770
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -173.689785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.689785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.689785 (E_RNA)
where:
Base-Base interactions energy: -82.363
where: short stacking energy: -43.278
Base-Backbone interact. energy: -0.267
local terms energy: -91.060262
where:
bonds (distance) C4'-P energy: -32.113
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -8.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -552.540535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.540535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.540535 (E_RNA)
where:
Base-Base interactions energy: -370.089
where: short stacking energy: -166.517
Base-Backbone interact. energy: -0.425
local terms energy: -182.026256
where:
bonds (distance) C4'-P energy: -34.097
bonds (distance) P-C4' energy: -40.291
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -29.937
tors. eta vs tors. theta energy: -39.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -491.928364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.928364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.928364 (E_RNA)
where:
Base-Base interactions energy: -315.807
where: short stacking energy: -137.654
Base-Backbone interact. energy: -0.187
local terms energy: -175.934608
where:
bonds (distance) C4'-P energy: -32.352
bonds (distance) P-C4' energy: -35.743
flat angles C4'-P-C4' energy: -34.674
flat angles P-C4'-P energy: -23.877
tors. eta vs tors. theta energy: -49.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -491.649685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.649685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.649685 (E_RNA)
where:
Base-Base interactions energy: -324.028
where: short stacking energy: -143.475
Base-Backbone interact. energy: 0.707
local terms energy: -168.328323
where:
bonds (distance) C4'-P energy: -31.466
bonds (distance) P-C4' energy: -34.619
flat angles C4'-P-C4' energy: -35.833
flat angles P-C4'-P energy: -24.639
tors. eta vs tors. theta energy: -41.770
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: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -438.108876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.108876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.108876 (E_RNA)
where:
Base-Base interactions energy: -272.254
where: short stacking energy: -114.950
Base-Backbone interact. energy: -0.881
local terms energy: -164.973696
where:
bonds (distance) C4'-P energy: -34.576
bonds (distance) P-C4' energy: -36.402
flat angles C4'-P-C4' energy: -31.533
flat angles P-C4'-P energy: -28.565
tors. eta vs tors. theta energy: -33.897
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: 85
Temperature: 1.100000
Total energy: -417.108496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.108496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.108496 (E_RNA)
where:
Base-Base interactions energy: -262.150
where: short stacking energy: -118.830
Base-Backbone interact. energy: -0.675
local terms energy: -154.282745
where:
bonds (distance) C4'-P energy: -34.400
bonds (distance) P-C4' energy: -36.370
flat angles C4'-P-C4' energy: -36.577
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -34.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -218.648824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.648824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.648824 (E_RNA)
where:
Base-Base interactions energy: -94.809
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.350
local terms energy: -123.489445
where:
bonds (distance) C4'-P energy: -38.781
bonds (distance) P-C4' energy: -32.327
flat angles C4'-P-C4' energy: -32.920
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -4.185
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: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -224.265122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.265122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.265122 (E_RNA)
where:
Base-Base interactions energy: -121.101
where: short stacking energy: -58.201
Base-Backbone interact. energy: -0.412
local terms energy: -102.752618
where:
bonds (distance) C4'-P energy: -35.923
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -30.466
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -174.494931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.494931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.494931 (E_RNA)
where:
Base-Base interactions energy: -56.641
where: short stacking energy: -38.602
Base-Backbone interact. energy: -0.491
local terms energy: -117.362777
where:
bonds (distance) C4'-P energy: -32.308
bonds (distance) P-C4' energy: -30.224
flat angles C4'-P-C4' energy: -27.868
flat angles P-C4'-P energy: -29.529
tors. eta vs tors. theta energy: 2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -160.978923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.978923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.978923 (E_RNA)
where:
Base-Base interactions energy: -54.967
where: short stacking energy: -32.262
Base-Backbone interact. energy: -0.979
local terms energy: -105.032872
where:
bonds (distance) C4'-P energy: -25.888
bonds (distance) P-C4' energy: -33.347
flat angles C4'-P-C4' energy: -30.742
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: 6.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -140.775035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.775035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.775035 (E_RNA)
where:
Base-Base interactions energy: -47.026
where: short stacking energy: -44.030
Base-Backbone interact. energy: -0.424
local terms energy: -93.324585
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -34.584
flat angles C4'-P-C4' energy: -28.201
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: 4.361
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: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -527.357214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.357214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.357214 (E_RNA)
where:
Base-Base interactions energy: -356.085
where: short stacking energy: -148.678
Base-Backbone interact. energy: 0.632
local terms energy: -171.904789
where:
bonds (distance) C4'-P energy: -30.981
bonds (distance) P-C4' energy: -32.775
flat angles C4'-P-C4' energy: -36.152
flat angles P-C4'-P energy: -27.287
tors. eta vs tors. theta energy: -44.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -488.228995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.228995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.228995 (E_RNA)
where:
Base-Base interactions energy: -324.565
where: short stacking energy: -148.537
Base-Backbone interact. energy: -0.117
local terms energy: -163.547017
where:
bonds (distance) C4'-P energy: -32.705
bonds (distance) P-C4' energy: -31.884
flat angles C4'-P-C4' energy: -30.047
flat angles P-C4'-P energy: -21.014
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: 3, replica: 6
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -493.347160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.347160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.347160 (E_RNA)
where:
Base-Base interactions energy: -327.859
where: short stacking energy: -139.484
Base-Backbone interact. energy: -0.558
local terms energy: -164.929561
where:
bonds (distance) C4'-P energy: -26.750
bonds (distance) P-C4' energy: -33.750
flat angles C4'-P-C4' energy: -33.732
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -42.958
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: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -419.549262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.549262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.549262 (E_RNA)
where:
Base-Base interactions energy: -261.466
where: short stacking energy: -118.525
Base-Backbone interact. energy: 0.023
local terms energy: -158.107062
where:
bonds (distance) C4'-P energy: -38.359
bonds (distance) P-C4' energy: -35.618
flat angles C4'-P-C4' energy: -37.295
flat angles P-C4'-P energy: -21.396
tors. eta vs tors. theta energy: -25.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -422.809352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.809352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.809352 (E_RNA)
where:
Base-Base interactions energy: -284.830
where: short stacking energy: -116.593
Base-Backbone interact. energy: -0.927
local terms energy: -137.052515
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -33.903
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -37.653
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: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -236.367136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.367136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.367136 (E_RNA)
where:
Base-Base interactions energy: -117.030
where: short stacking energy: -58.360
Base-Backbone interact. energy: -0.660
local terms energy: -118.677820
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -32.644
flat angles C4'-P-C4' energy: -33.382
flat angles P-C4'-P energy: -16.763
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -242.960897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.960897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.960897 (E_RNA)
where:
Base-Base interactions energy: -119.867
where: short stacking energy: -61.980
Base-Backbone interact. energy: 1.574
local terms energy: -124.667627
where:
bonds (distance) C4'-P energy: -30.865
bonds (distance) P-C4' energy: -34.726
flat angles C4'-P-C4' energy: -29.350
flat angles P-C4'-P energy: -17.829
tors. eta vs tors. theta energy: -11.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -187.422747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.422747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.422747 (E_RNA)
where:
Base-Base interactions energy: -83.942
where: short stacking energy: -47.792
Base-Backbone interact. energy: -0.495
local terms energy: -102.985431
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -30.678
flat angles C4'-P-C4' energy: -26.609
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -1.546
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: 9, replica: 5
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -156.711331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.711331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.711331 (E_RNA)
where:
Base-Base interactions energy: -57.956
where: short stacking energy: -57.149
Base-Backbone interact. energy: -0.677
local terms energy: -98.077671
where:
bonds (distance) C4'-P energy: -30.186
bonds (distance) P-C4' energy: -32.037
flat angles C4'-P-C4' energy: -22.537
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -163.513211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.513211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.513211 (E_RNA)
where:
Base-Base interactions energy: -56.494
where: short stacking energy: -25.649
Base-Backbone interact. energy: -0.821
local terms energy: -106.198514
where:
bonds (distance) C4'-P energy: -38.027
bonds (distance) P-C4' energy: -33.514
flat angles C4'-P-C4' energy: -32.014
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: 4.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -540.690661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.690661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.690661 (E_RNA)
where:
Base-Base interactions energy: -364.754
where: short stacking energy: -163.061
Base-Backbone interact. energy: -0.500
local terms energy: -175.436327
where:
bonds (distance) C4'-P energy: -30.282
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -40.873
flat angles P-C4'-P energy: -28.320
tors. eta vs tors. theta energy: -40.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -500.030036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.030036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.030036 (E_RNA)
where:
Base-Base interactions energy: -327.067
where: short stacking energy: -145.554
Base-Backbone interact. energy: -0.290
local terms energy: -172.672655
where:
bonds (distance) C4'-P energy: -33.512
bonds (distance) P-C4' energy: -40.063
flat angles C4'-P-C4' energy: -32.268
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -44.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -514.294473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.294473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.294473 (E_RNA)
where:
Base-Base interactions energy: -354.552
where: short stacking energy: -147.146
Base-Backbone interact. energy: 1.809
local terms energy: -161.550901
where:
bonds (distance) C4'-P energy: -30.151
bonds (distance) P-C4' energy: -38.710
flat angles C4'-P-C4' energy: -26.806
flat angles P-C4'-P energy: -21.149
tors. eta vs tors. theta energy: -44.735
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: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -446.051734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.051734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.051734 (E_RNA)
where:
Base-Base interactions energy: -279.664
where: short stacking energy: -128.290
Base-Backbone interact. energy: -0.708
local terms energy: -165.679758
where:
bonds (distance) C4'-P energy: -38.122
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -32.499
flat angles P-C4'-P energy: -27.344
tors. eta vs tors. theta energy: -40.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -445.591245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.591245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.591245 (E_RNA)
where:
Base-Base interactions energy: -289.629
where: short stacking energy: -120.302
Base-Backbone interact. energy: -1.285
local terms energy: -154.677273
where:
bonds (distance) C4'-P energy: -30.805
bonds (distance) P-C4' energy: -33.082
flat angles C4'-P-C4' energy: -37.769
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -35.066
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: 9
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -272.339445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.339445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.339445 (E_RNA)
where:
Base-Base interactions energy: -139.236
where: short stacking energy: -80.458
Base-Backbone interact. energy: -0.480
local terms energy: -132.623284
where:
bonds (distance) C4'-P energy: -27.897
bonds (distance) P-C4' energy: -36.355
flat angles C4'-P-C4' energy: -32.776
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -22.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -230.733852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.733852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.733852 (E_RNA)
where:
Base-Base interactions energy: -107.345
where: short stacking energy: -72.767
Base-Backbone interact. energy: 0.836
local terms energy: -124.225262
where:
bonds (distance) C4'-P energy: -31.907
bonds (distance) P-C4' energy: -38.718
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -14.467
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: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -167.839802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.839802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.839802 (E_RNA)
where:
Base-Base interactions energy: -62.918
where: short stacking energy: -57.337
Base-Backbone interact. energy: -0.175
local terms energy: -104.745952
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -20.884
flat angles C4'-P-C4' energy: -31.338
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -166.465696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.465696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.465696 (E_RNA)
where:
Base-Base interactions energy: -69.153
where: short stacking energy: -39.604
Base-Backbone interact. energy: 0.154
local terms energy: -97.466708
where:
bonds (distance) C4'-P energy: -32.959
bonds (distance) P-C4' energy: -30.378
flat angles C4'-P-C4' energy: -20.163
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -167.713636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.713636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.713636 (E_RNA)
where:
Base-Base interactions energy: -65.211
where: short stacking energy: -43.736
Base-Backbone interact. energy: -0.523
local terms energy: -101.979198
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -34.074
flat angles C4'-P-C4' energy: -26.610
flat angles P-C4'-P energy: -23.017
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -525.718334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.718334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.718334 (E_RNA)
where:
Base-Base interactions energy: -346.446
where: short stacking energy: -148.848
Base-Backbone interact. energy: -0.601
local terms energy: -178.670964
where:
bonds (distance) C4'-P energy: -38.047
bonds (distance) P-C4' energy: -37.302
flat angles C4'-P-C4' energy: -34.867
flat angles P-C4'-P energy: -26.377
tors. eta vs tors. theta energy: -42.078
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: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -491.981757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.981757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.981757 (E_RNA)
where:
Base-Base interactions energy: -308.849
where: short stacking energy: -132.777
Base-Backbone interact. energy: -0.335
local terms energy: -182.798144
where:
bonds (distance) C4'-P energy: -38.613
bonds (distance) P-C4' energy: -39.413
flat angles C4'-P-C4' energy: -37.747
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -45.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -512.214271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.214271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.214271 (E_RNA)
where:
Base-Base interactions energy: -346.719
where: short stacking energy: -157.109
Base-Backbone interact. energy: 0.595
local terms energy: -166.089678
where:
bonds (distance) C4'-P energy: -30.483
bonds (distance) P-C4' energy: -28.965
flat angles C4'-P-C4' energy: -32.987
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: -53.139
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: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -448.800443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.800443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.800443 (E_RNA)
where:
Base-Base interactions energy: -289.763
where: short stacking energy: -142.547
Base-Backbone interact. energy: -0.576
local terms energy: -158.461349
where:
bonds (distance) C4'-P energy: -27.388
bonds (distance) P-C4' energy: -37.957
flat angles C4'-P-C4' energy: -33.163
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -42.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -448.704040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.704040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.704040 (E_RNA)
where:
Base-Base interactions energy: -281.373
where: short stacking energy: -119.965
Base-Backbone interact. energy: 0.081
local terms energy: -167.411900
where:
bonds (distance) C4'-P energy: -22.755
bonds (distance) P-C4' energy: -38.958
flat angles C4'-P-C4' energy: -37.975
flat angles P-C4'-P energy: -27.384
tors. eta vs tors. theta energy: -40.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -258.602324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.602324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.602324 (E_RNA)
where:
Base-Base interactions energy: -137.000
where: short stacking energy: -85.258
Base-Backbone interact. energy: -0.139
local terms energy: -121.462938
where:
bonds (distance) C4'-P energy: -28.252
bonds (distance) P-C4' energy: -32.824
flat angles C4'-P-C4' energy: -31.341
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -199.831921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.831921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.831921 (E_RNA)
where:
Base-Base interactions energy: -77.434
where: short stacking energy: -60.633
Base-Backbone interact. energy: -0.215
local terms energy: -122.182960
where:
bonds (distance) C4'-P energy: -35.804
bonds (distance) P-C4' energy: -29.939
flat angles C4'-P-C4' energy: -38.438
flat angles P-C4'-P energy: -11.691
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: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -174.751344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.751344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.751344 (E_RNA)
where:
Base-Base interactions energy: -61.355
where: short stacking energy: -38.507
Base-Backbone interact. energy: -0.843
local terms energy: -112.553784
where:
bonds (distance) C4'-P energy: -34.306
bonds (distance) P-C4' energy: -26.255
flat angles C4'-P-C4' energy: -31.588
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -166.123101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.123101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.123101 (E_RNA)
where:
Base-Base interactions energy: -65.301
where: short stacking energy: -33.687
Base-Backbone interact. energy: 0.482
local terms energy: -101.304256
where:
bonds (distance) C4'-P energy: -35.813
bonds (distance) P-C4' energy: -30.793
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -16.962
tors. eta vs tors. theta energy: 3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -161.754704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.754704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.754704 (E_RNA)
where:
Base-Base interactions energy: -56.423
where: short stacking energy: -35.968
Base-Backbone interact. energy: 3.061
local terms energy: -108.393126
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -36.540
flat angles C4'-P-C4' energy: -25.154
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -522.930742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.930742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.930742 (E_RNA)
where:
Base-Base interactions energy: -346.453
where: short stacking energy: -137.037
Base-Backbone interact. energy: -0.575
local terms energy: -175.902248
where:
bonds (distance) C4'-P energy: -33.946
bonds (distance) P-C4' energy: -37.972
flat angles C4'-P-C4' energy: -35.519
flat angles P-C4'-P energy: -27.184
tors. eta vs tors. theta energy: -41.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -512.692349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.692349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.692349 (E_RNA)
where:
Base-Base interactions energy: -339.483
where: short stacking energy: -150.512
Base-Backbone interact. energy: 0.446
local terms energy: -173.656105
where:
bonds (distance) C4'-P energy: -32.100
bonds (distance) P-C4' energy: -35.299
flat angles C4'-P-C4' energy: -32.176
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -48.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -498.264510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.264510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.264510 (E_RNA)
where:
Base-Base interactions energy: -316.949
where: short stacking energy: -150.981
Base-Backbone interact. energy: -0.244
local terms energy: -181.071876
where:
bonds (distance) C4'-P energy: -30.389
bonds (distance) P-C4' energy: -36.297
flat angles C4'-P-C4' energy: -34.781
flat angles P-C4'-P energy: -27.565
tors. eta vs tors. theta energy: -52.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -456.555745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.555745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.555745 (E_RNA)
where:
Base-Base interactions energy: -292.807
where: short stacking energy: -122.352
Base-Backbone interact. energy: 2.838
local terms energy: -166.586424
where:
bonds (distance) C4'-P energy: -33.764
bonds (distance) P-C4' energy: -34.833
flat angles C4'-P-C4' energy: -41.468
flat angles P-C4'-P energy: -22.892
tors. eta vs tors. theta energy: -33.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -481.800238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.800238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.800238 (E_RNA)
where:
Base-Base interactions energy: -310.844
where: short stacking energy: -137.189
Base-Backbone interact. energy: -0.157
local terms energy: -170.799232
where:
bonds (distance) C4'-P energy: -30.699
bonds (distance) P-C4' energy: -27.713
flat angles C4'-P-C4' energy: -37.102
flat angles P-C4'-P energy: -24.157
tors. eta vs tors. theta energy: -51.127
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: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -262.959279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.959279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.959279 (E_RNA)
where:
Base-Base interactions energy: -133.576
where: short stacking energy: -74.225
Base-Backbone interact. energy: -0.891
local terms energy: -128.492475
where:
bonds (distance) C4'-P energy: -29.281
bonds (distance) P-C4' energy: -29.535
flat angles C4'-P-C4' energy: -32.423
flat angles P-C4'-P energy: -22.798
tors. eta vs tors. theta energy: -14.455
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: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -177.481448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.481448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.481448 (E_RNA)
where:
Base-Base interactions energy: -54.124
where: short stacking energy: -51.382
Base-Backbone interact. energy: -0.150
local terms energy: -123.208027
where:
bonds (distance) C4'-P energy: -33.023
bonds (distance) P-C4' energy: -34.577
flat angles C4'-P-C4' energy: -29.580
flat angles P-C4'-P energy: -21.381
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -183.470775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.470775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.470775 (E_RNA)
where:
Base-Base interactions energy: -70.102
where: short stacking energy: -51.870
Base-Backbone interact. energy: 0.910
local terms energy: -114.278664
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -25.092
flat angles C4'-P-C4' energy: -36.202
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -156.038415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.038415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.038415 (E_RNA)
where:
Base-Base interactions energy: -46.154
where: short stacking energy: -27.088
Base-Backbone interact. energy: -0.354
local terms energy: -109.530741
where:
bonds (distance) C4'-P energy: -30.315
bonds (distance) P-C4' energy: -36.471
flat angles C4'-P-C4' energy: -29.432
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: 3.365
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: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -150.850626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.850626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.850626 (E_RNA)
where:
Base-Base interactions energy: -55.950
where: short stacking energy: -43.172
Base-Backbone interact. energy: 2.487
local terms energy: -97.387027
where:
bonds (distance) C4'-P energy: -32.462
bonds (distance) P-C4' energy: -27.222
flat angles C4'-P-C4' energy: -25.170
flat angles P-C4'-P energy: -18.338
tors. eta vs tors. theta energy: 5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -544.736579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.736579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.736579 (E_RNA)
where:
Base-Base interactions energy: -371.213
where: short stacking energy: -152.394
Base-Backbone interact. energy: 1.337
local terms energy: -174.861090
where:
bonds (distance) C4'-P energy: -34.617
bonds (distance) P-C4' energy: -34.370
flat angles C4'-P-C4' energy: -39.948
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -42.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -508.881137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.881137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.881137 (E_RNA)
where:
Base-Base interactions energy: -328.443
where: short stacking energy: -139.689
Base-Backbone interact. energy: -1.315
local terms energy: -179.123221
where:
bonds (distance) C4'-P energy: -32.733
bonds (distance) P-C4' energy: -39.302
flat angles C4'-P-C4' energy: -31.444
flat angles P-C4'-P energy: -27.629
tors. eta vs tors. theta energy: -48.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -471.014577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.014577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.014577 (E_RNA)
where:
Base-Base interactions energy: -295.035
where: short stacking energy: -125.159
Base-Backbone interact. energy: -1.066
local terms energy: -174.913641
where:
bonds (distance) C4'-P energy: -34.733
bonds (distance) P-C4' energy: -40.801
flat angles C4'-P-C4' energy: -39.188
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -36.830
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: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -458.429988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.429988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.429988 (E_RNA)
where:
Base-Base interactions energy: -276.626
where: short stacking energy: -129.544
Base-Backbone interact. energy: -0.166
local terms energy: -181.638566
where:
bonds (distance) C4'-P energy: -31.542
bonds (distance) P-C4' energy: -37.391
flat angles C4'-P-C4' energy: -35.244
flat angles P-C4'-P energy: -31.425
tors. eta vs tors. theta energy: -46.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -488.596449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.596449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.596449 (E_RNA)
where:
Base-Base interactions energy: -322.864
where: short stacking energy: -141.921
Base-Backbone interact. energy: -0.030
local terms energy: -165.702614
where:
bonds (distance) C4'-P energy: -26.901
bonds (distance) P-C4' energy: -31.817
flat angles C4'-P-C4' energy: -33.480
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -49.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -262.477946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.477946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.477946 (E_RNA)
where:
Base-Base interactions energy: -138.111
where: short stacking energy: -82.824
Base-Backbone interact. energy: -0.197
local terms energy: -124.169318
where:
bonds (distance) C4'-P energy: -21.390
bonds (distance) P-C4' energy: -35.912
flat angles C4'-P-C4' energy: -37.734
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -13.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -212.010210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.010210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.010210 (E_RNA)
where:
Base-Base interactions energy: -92.809
where: short stacking energy: -66.313
Base-Backbone interact. energy: 3.099
local terms energy: -122.299894
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -28.259
flat angles C4'-P-C4' energy: -33.816
flat angles P-C4'-P energy: -19.825
tors. eta vs tors. theta energy: -8.441
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: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -197.096458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.096458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.096458 (E_RNA)
where:
Base-Base interactions energy: -89.622
where: short stacking energy: -57.699
Base-Backbone interact. energy: -0.614
local terms energy: -106.860391
where:
bonds (distance) C4'-P energy: -25.786
bonds (distance) P-C4' energy: -27.636
flat angles C4'-P-C4' energy: -30.219
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -235.995469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.995469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.995469 (E_RNA)
where:
Base-Base interactions energy: -121.057
where: short stacking energy: -54.165
Base-Backbone interact. energy: -1.409
local terms energy: -113.528940
where:
bonds (distance) C4'-P energy: -35.224
bonds (distance) P-C4' energy: -26.314
flat angles C4'-P-C4' energy: -30.964
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -3.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -140.099240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.099240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.099240 (E_RNA)
where:
Base-Base interactions energy: -39.398
where: short stacking energy: -36.510
Base-Backbone interact. energy: -2.001
local terms energy: -98.699550
where:
bonds (distance) C4'-P energy: -32.043
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -25.785
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: 4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -534.497207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.497207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.497207 (E_RNA)
where:
Base-Base interactions energy: -351.075
where: short stacking energy: -145.444
Base-Backbone interact. energy: -0.625
local terms energy: -182.797067
where:
bonds (distance) C4'-P energy: -37.924
bonds (distance) P-C4' energy: -36.603
flat angles C4'-P-C4' energy: -39.842
flat angles P-C4'-P energy: -25.333
tors. eta vs tors. theta energy: -43.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -528.192666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.192666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.192666 (E_RNA)
where:
Base-Base interactions energy: -361.711
where: short stacking energy: -167.772
Base-Backbone interact. energy: 1.073
local terms energy: -167.555151
where:
bonds (distance) C4'-P energy: -28.419
bonds (distance) P-C4' energy: -26.204
flat angles C4'-P-C4' energy: -30.963
flat angles P-C4'-P energy: -29.957
tors. eta vs tors. theta energy: -52.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -458.120576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.120576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.120576 (E_RNA)
where:
Base-Base interactions energy: -292.443
where: short stacking energy: -126.421
Base-Backbone interact. energy: -0.708
local terms energy: -164.968660
where:
bonds (distance) C4'-P energy: -39.258
bonds (distance) P-C4' energy: -31.419
flat angles C4'-P-C4' energy: -36.782
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: -31.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -475.494446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.494446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.494446 (E_RNA)
where:
Base-Base interactions energy: -322.259
where: short stacking energy: -152.606
Base-Backbone interact. energy: -0.172
local terms energy: -153.063240
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -32.827
flat angles C4'-P-C4' energy: -37.067
flat angles P-C4'-P energy: -20.790
tors. eta vs tors. theta energy: -40.986
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: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -427.723515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.723515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.723515 (E_RNA)
where:
Base-Base interactions energy: -269.725
where: short stacking energy: -121.200
Base-Backbone interact. energy: -1.054
local terms energy: -156.944140
where:
bonds (distance) C4'-P energy: -32.740
bonds (distance) P-C4' energy: -27.629
flat angles C4'-P-C4' energy: -32.868
flat angles P-C4'-P energy: -26.356
tors. eta vs tors. theta energy: -37.352
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: 9
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -248.246485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.246485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.246485 (E_RNA)
where:
Base-Base interactions energy: -132.613
where: short stacking energy: -70.540
Base-Backbone interact. energy: -0.553
local terms energy: -115.080412
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -29.016
flat angles C4'-P-C4' energy: -24.001
flat angles P-C4'-P energy: -19.842
tors. eta vs tors. theta energy: -16.600
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: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -167.950628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.950628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.950628 (E_RNA)
where:
Base-Base interactions energy: -73.442
where: short stacking energy: -63.200
Base-Backbone interact. energy: 1.114
local terms energy: -95.622349
where:
bonds (distance) C4'-P energy: -28.307
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -18.671
tors. eta vs tors. theta energy: -1.951
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: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -216.212308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.212308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.212308 (E_RNA)
where:
Base-Base interactions energy: -122.238
where: short stacking energy: -55.392
Base-Backbone interact. energy: -0.736
local terms energy: -93.238136
where:
bonds (distance) C4'-P energy: -22.539
bonds (distance) P-C4' energy: -26.712
flat angles C4'-P-C4' energy: -26.715
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -167.558843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.558843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.558843 (E_RNA)
where:
Base-Base interactions energy: -66.633
where: short stacking energy: -61.260
Base-Backbone interact. energy: -0.836
local terms energy: -100.089997
where:
bonds (distance) C4'-P energy: -27.386
bonds (distance) P-C4' energy: -31.687
flat angles C4'-P-C4' energy: -24.369
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -140.987041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.987041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.987041 (E_RNA)
where:
Base-Base interactions energy: -32.021
where: short stacking energy: -32.278
Base-Backbone interact. energy: -0.596
local terms energy: -108.370556
where:
bonds (distance) C4'-P energy: -30.070
bonds (distance) P-C4' energy: -32.652
flat angles C4'-P-C4' energy: -27.699
flat angles P-C4'-P energy: -23.089
tors. eta vs tors. theta energy: 5.140
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: 6
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -537.920098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.920098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.920098 (E_RNA)
where:
Base-Base interactions energy: -342.562
where: short stacking energy: -157.783
Base-Backbone interact. energy: 0.316
local terms energy: -195.674036
where:
bonds (distance) C4'-P energy: -36.620
bonds (distance) P-C4' energy: -41.232
flat angles C4'-P-C4' energy: -32.732
flat angles P-C4'-P energy: -31.424
tors. eta vs tors. theta energy: -53.666
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: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -515.414992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.414992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.414992 (E_RNA)
where:
Base-Base interactions energy: -341.424
where: short stacking energy: -137.328
Base-Backbone interact. energy: -0.008
local terms energy: -173.982802
where:
bonds (distance) C4'-P energy: -32.346
bonds (distance) P-C4' energy: -35.112
flat angles C4'-P-C4' energy: -36.619
flat angles P-C4'-P energy: -28.542
tors. eta vs tors. theta energy: -41.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -477.199983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.199983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.199983 (E_RNA)
where:
Base-Base interactions energy: -307.045
where: short stacking energy: -141.107
Base-Backbone interact. energy: 0.542
local terms energy: -170.696418
where:
bonds (distance) C4'-P energy: -30.478
bonds (distance) P-C4' energy: -31.686
flat angles C4'-P-C4' energy: -38.454
flat angles P-C4'-P energy: -28.789
tors. eta vs tors. theta energy: -41.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -424.696774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.696774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.696774 (E_RNA)
where:
Base-Base interactions energy: -281.371
where: short stacking energy: -130.769
Base-Backbone interact. energy: -0.458
local terms energy: -142.867977
where:
bonds (distance) C4'-P energy: -31.002
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -30.301
flat angles P-C4'-P energy: -23.832
tors. eta vs tors. theta energy: -28.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -420.998392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.998392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.998392 (E_RNA)
where:
Base-Base interactions energy: -271.221
where: short stacking energy: -113.485
Base-Backbone interact. energy: -0.830
local terms energy: -148.946542
where:
bonds (distance) C4'-P energy: -29.796
bonds (distance) P-C4' energy: -37.776
flat angles C4'-P-C4' energy: -26.043
flat angles P-C4'-P energy: -21.976
tors. eta vs tors. theta energy: -33.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -276.207174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.207174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.207174 (E_RNA)
where:
Base-Base interactions energy: -134.082
where: short stacking energy: -69.058
Base-Backbone interact. energy: -1.075
local terms energy: -141.050282
where:
bonds (distance) C4'-P energy: -33.195
bonds (distance) P-C4' energy: -35.235
flat angles C4'-P-C4' energy: -31.658
flat angles P-C4'-P energy: -24.654
tors. eta vs tors. theta energy: -16.308
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: 92
Temperature: 1.200000
Total energy: -207.094853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.094853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.094853 (E_RNA)
where:
Base-Base interactions energy: -75.920
where: short stacking energy: -66.541
Base-Backbone interact. energy: -1.027
local terms energy: -130.148466
where:
bonds (distance) C4'-P energy: -33.483
bonds (distance) P-C4' energy: -31.213
flat angles C4'-P-C4' energy: -30.383
flat angles P-C4'-P energy: -18.956
tors. eta vs tors. theta energy: -16.113
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: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -167.861800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.861800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.861800 (E_RNA)
where:
Base-Base interactions energy: -55.830
where: short stacking energy: -45.736
Base-Backbone interact. energy: 8.398
local terms energy: -120.430397
where:
bonds (distance) C4'-P energy: -26.701
bonds (distance) P-C4' energy: -33.602
flat angles C4'-P-C4' energy: -39.313
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -8.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -151.970883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.970883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.970883 (E_RNA)
where:
Base-Base interactions energy: -55.993
where: short stacking energy: -44.060
Base-Backbone interact. energy: -0.679
local terms energy: -95.298370
where:
bonds (distance) C4'-P energy: -32.862
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -31.038
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: 5.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -147.229688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.229688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.229688 (E_RNA)
where:
Base-Base interactions energy: -38.831
where: short stacking energy: -28.537
Base-Backbone interact. energy: -0.682
local terms energy: -107.716851
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -31.922
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -22.789
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -552.441329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.441329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.441329 (E_RNA)
where:
Base-Base interactions energy: -359.563
where: short stacking energy: -158.293
Base-Backbone interact. energy: -0.428
local terms energy: -192.450462
where:
bonds (distance) C4'-P energy: -31.703
bonds (distance) P-C4' energy: -37.633
flat angles C4'-P-C4' energy: -41.362
flat angles P-C4'-P energy: -24.845
tors. eta vs tors. theta energy: -56.908
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: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -516.474669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.474669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.474669 (E_RNA)
where:
Base-Base interactions energy: -336.616
where: short stacking energy: -147.419
Base-Backbone interact. energy: -2.109
local terms energy: -177.749408
where:
bonds (distance) C4'-P energy: -36.526
bonds (distance) P-C4' energy: -36.272
flat angles C4'-P-C4' energy: -34.133
flat angles P-C4'-P energy: -26.270
tors. eta vs tors. theta energy: -44.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -486.000264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.000264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.000264 (E_RNA)
where:
Base-Base interactions energy: -320.148
where: short stacking energy: -147.619
Base-Backbone interact. energy: -0.713
local terms energy: -165.138847
where:
bonds (distance) C4'-P energy: -32.696
bonds (distance) P-C4' energy: -26.412
flat angles C4'-P-C4' energy: -33.508
flat angles P-C4'-P energy: -25.108
tors. eta vs tors. theta energy: -47.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -419.910121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.910121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.910121 (E_RNA)
where:
Base-Base interactions energy: -269.943
where: short stacking energy: -130.631
Base-Backbone interact. energy: -1.767
local terms energy: -148.199937
where:
bonds (distance) C4'-P energy: -28.284
bonds (distance) P-C4' energy: -23.685
flat angles C4'-P-C4' energy: -35.245
flat angles P-C4'-P energy: -27.069
tors. eta vs tors. theta energy: -33.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -421.270085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.270085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.270085 (E_RNA)
where:
Base-Base interactions energy: -263.564
where: short stacking energy: -106.624
Base-Backbone interact. energy: -1.199
local terms energy: -156.506558
where:
bonds (distance) C4'-P energy: -40.023
bonds (distance) P-C4' energy: -32.078
flat angles C4'-P-C4' energy: -33.599
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -28.240
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: 9
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -261.618629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.618629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.618629 (E_RNA)
where:
Base-Base interactions energy: -135.188
where: short stacking energy: -74.800
Base-Backbone interact. energy: 0.577
local terms energy: -127.006768
where:
bonds (distance) C4'-P energy: -33.122
bonds (distance) P-C4' energy: -31.080
flat angles C4'-P-C4' energy: -34.764
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -8.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -190.837182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.837182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.837182 (E_RNA)
where:
Base-Base interactions energy: -77.975
where: short stacking energy: -52.919
Base-Backbone interact. energy: -0.340
local terms energy: -112.522509
where:
bonds (distance) C4'-P energy: -31.696
bonds (distance) P-C4' energy: -39.184
flat angles C4'-P-C4' energy: -26.121
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: 0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -204.321942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.321942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.321942 (E_RNA)
where:
Base-Base interactions energy: -91.721
where: short stacking energy: -44.730
Base-Backbone interact. energy: -0.266
local terms energy: -112.333998
where:
bonds (distance) C4'-P energy: -29.561
bonds (distance) P-C4' energy: -37.475
flat angles C4'-P-C4' energy: -28.933
flat angles P-C4'-P energy: -18.111
tors. eta vs tors. theta energy: 1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -159.140733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.140733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.140733 (E_RNA)
where:
Base-Base interactions energy: -56.681
where: short stacking energy: -54.822
Base-Backbone interact. energy: -1.136
local terms energy: -101.324002
where:
bonds (distance) C4'-P energy: -31.170
bonds (distance) P-C4' energy: -29.257
flat angles C4'-P-C4' energy: -29.323
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: 0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -143.221088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.221088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.221088 (E_RNA)
where:
Base-Base interactions energy: -50.110
where: short stacking energy: -25.359
Base-Backbone interact. energy: -0.972
local terms energy: -92.138952
where:
bonds (distance) C4'-P energy: -31.521
bonds (distance) P-C4' energy: -35.169
flat angles C4'-P-C4' energy: -26.051
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: 13.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -533.183086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.183086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.183086 (E_RNA)
where:
Base-Base interactions energy: -348.711
where: short stacking energy: -157.486
Base-Backbone interact. energy: -0.790
local terms energy: -183.682296
where:
bonds (distance) C4'-P energy: -39.027
bonds (distance) P-C4' energy: -36.014
flat angles C4'-P-C4' energy: -35.672
flat angles P-C4'-P energy: -20.959
tors. eta vs tors. theta energy: -52.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -531.646883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.646883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.646883 (E_RNA)
where:
Base-Base interactions energy: -358.146
where: short stacking energy: -146.423
Base-Backbone interact. energy: -1.516
local terms energy: -171.985238
where:
bonds (distance) C4'-P energy: -37.773
bonds (distance) P-C4' energy: -31.455
flat angles C4'-P-C4' energy: -34.280
flat angles P-C4'-P energy: -26.702
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: 3, replica: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -473.600813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.600813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.600813 (E_RNA)
where:
Base-Base interactions energy: -308.996
where: short stacking energy: -133.234
Base-Backbone interact. energy: -0.854
local terms energy: -163.750738
where:
bonds (distance) C4'-P energy: -35.705
bonds (distance) P-C4' energy: -28.154
flat angles C4'-P-C4' energy: -35.367
flat angles P-C4'-P energy: -22.327
tors. eta vs tors. theta energy: -42.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -441.534670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.534670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.534670 (E_RNA)
where:
Base-Base interactions energy: -278.868
where: short stacking energy: -137.084
Base-Backbone interact. energy: -0.299
local terms energy: -162.368098
where:
bonds (distance) C4'-P energy: -35.611
bonds (distance) P-C4' energy: -29.834
flat angles C4'-P-C4' energy: -29.677
flat angles P-C4'-P energy: -23.809
tors. eta vs tors. theta energy: -43.438
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: 8
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -399.880642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.880642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.880642 (E_RNA)
where:
Base-Base interactions energy: -256.411
where: short stacking energy: -104.726
Base-Backbone interact. energy: 0.338
local terms energy: -143.807672
where:
bonds (distance) C4'-P energy: -37.661
bonds (distance) P-C4' energy: -26.044
flat angles C4'-P-C4' energy: -35.072
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -261.896641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.896641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.896641 (E_RNA)
where:
Base-Base interactions energy: -130.476
where: short stacking energy: -92.221
Base-Backbone interact. energy: 0.882
local terms energy: -132.302806
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -32.576
flat angles C4'-P-C4' energy: -28.866
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -22.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -258.281766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.281766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.281766 (E_RNA)
where:
Base-Base interactions energy: -137.481
where: short stacking energy: -85.272
Base-Backbone interact. energy: -0.220
local terms energy: -120.580674
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -37.315
flat angles C4'-P-C4' energy: -31.893
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: -13.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -176.172942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.172942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.172942 (E_RNA)
where:
Base-Base interactions energy: -78.560
where: short stacking energy: -49.301
Base-Backbone interact. energy: 1.570
local terms energy: -99.182327
where:
bonds (distance) C4'-P energy: -23.981
bonds (distance) P-C4' energy: -32.614
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -23.094
tors. eta vs tors. theta energy: 1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -146.333491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.333491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.333491 (E_RNA)
where:
Base-Base interactions energy: -46.585
where: short stacking energy: -38.393
Base-Backbone interact. energy: -0.432
local terms energy: -99.316812
where:
bonds (distance) C4'-P energy: -30.223
bonds (distance) P-C4' energy: -33.466
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -2.151
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: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -163.179701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.179701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.179701 (E_RNA)
where:
Base-Base interactions energy: -76.106
where: short stacking energy: -36.701
Base-Backbone interact. energy: -1.667
local terms energy: -85.407175
where:
bonds (distance) C4'-P energy: -31.397
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: 5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -524.513658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.513658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.513658 (E_RNA)
where:
Base-Base interactions energy: -343.149
where: short stacking energy: -161.062
Base-Backbone interact. energy: -0.562
local terms energy: -180.802497
where:
bonds (distance) C4'-P energy: -36.777
bonds (distance) P-C4' energy: -32.578
flat angles C4'-P-C4' energy: -36.399
flat angles P-C4'-P energy: -24.388
tors. eta vs tors. theta energy: -50.660
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: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -483.027462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.027462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.027462 (E_RNA)
where:
Base-Base interactions energy: -301.790
where: short stacking energy: -139.192
Base-Backbone interact. energy: -0.983
local terms energy: -180.254722
where:
bonds (distance) C4'-P energy: -37.006
bonds (distance) P-C4' energy: -37.504
flat angles C4'-P-C4' energy: -36.636
flat angles P-C4'-P energy: -27.811
tors. eta vs tors. theta energy: -41.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -504.228786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.228786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.228786 (E_RNA)
where:
Base-Base interactions energy: -345.001
where: short stacking energy: -135.294
Base-Backbone interact. energy: -0.703
local terms energy: -158.525271
where:
bonds (distance) C4'-P energy: -29.139
bonds (distance) P-C4' energy: -36.747
flat angles C4'-P-C4' energy: -37.232
flat angles P-C4'-P energy: -23.305
tors. eta vs tors. theta energy: -32.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -437.088749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.088749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.088749 (E_RNA)
where:
Base-Base interactions energy: -282.753
where: short stacking energy: -134.047
Base-Backbone interact. energy: -0.736
local terms energy: -153.600076
where:
bonds (distance) C4'-P energy: -27.338
bonds (distance) P-C4' energy: -32.171
flat angles C4'-P-C4' energy: -30.280
flat angles P-C4'-P energy: -22.041
tors. eta vs tors. theta energy: -41.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -393.659023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.659023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.659023 (E_RNA)
where:
Base-Base interactions energy: -256.099
where: short stacking energy: -100.861
Base-Backbone interact. energy: -1.064
local terms energy: -136.496295
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -34.294
flat angles C4'-P-C4' energy: -34.626
flat angles P-C4'-P energy: -20.776
tors. eta vs tors. theta energy: -21.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -288.583622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.583622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.583622 (E_RNA)
where:
Base-Base interactions energy: -148.469
where: short stacking energy: -79.457
Base-Backbone interact. energy: -0.302
local terms energy: -139.812007
where:
bonds (distance) C4'-P energy: -27.596
bonds (distance) P-C4' energy: -39.849
flat angles C4'-P-C4' energy: -27.628
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -258.048651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.048651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.048651 (E_RNA)
where:
Base-Base interactions energy: -144.573
where: short stacking energy: -82.955
Base-Backbone interact. energy: 0.238
local terms energy: -113.713471
where:
bonds (distance) C4'-P energy: -25.988
bonds (distance) P-C4' energy: -27.115
flat angles C4'-P-C4' energy: -35.712
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -168.095052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.095052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.095052 (E_RNA)
where:
Base-Base interactions energy: -57.770
where: short stacking energy: -47.510
Base-Backbone interact. energy: -1.213
local terms energy: -109.112163
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -37.307
flat angles C4'-P-C4' energy: -28.524
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: 0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -152.495818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.495818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.495818 (E_RNA)
where:
Base-Base interactions energy: -54.626
where: short stacking energy: -35.674
Base-Backbone interact. energy: -0.244
local terms energy: -97.625498
where:
bonds (distance) C4'-P energy: -32.651
bonds (distance) P-C4' energy: -30.297
flat angles C4'-P-C4' energy: -25.071
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: 3.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -157.614646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.614646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.614646 (E_RNA)
where:
Base-Base interactions energy: -65.198
where: short stacking energy: -57.167
Base-Backbone interact. energy: -0.614
local terms energy: -91.802968
where:
bonds (distance) C4'-P energy: -25.073
bonds (distance) P-C4' energy: -37.156
flat angles C4'-P-C4' energy: -20.675
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -549.564243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.564243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.564243 (E_RNA)
where:
Base-Base interactions energy: -357.160
where: short stacking energy: -173.310
Base-Backbone interact. energy: 2.291
local terms energy: -194.695542
where:
bonds (distance) C4'-P energy: -36.050
bonds (distance) P-C4' energy: -35.686
flat angles C4'-P-C4' energy: -41.035
flat angles P-C4'-P energy: -26.100
tors. eta vs tors. theta energy: -55.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -482.602522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.602522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.602522 (E_RNA)
where:
Base-Base interactions energy: -312.989
where: short stacking energy: -145.224
Base-Backbone interact. energy: 0.028
local terms energy: -169.641665
where:
bonds (distance) C4'-P energy: -37.625
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -30.328
flat angles P-C4'-P energy: -24.871
tors. eta vs tors. theta energy: -48.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -494.954750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.954750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.954750 (E_RNA)
where:
Base-Base interactions energy: -323.661
where: short stacking energy: -145.042
Base-Backbone interact. energy: -0.552
local terms energy: -170.741555
where:
bonds (distance) C4'-P energy: -34.711
bonds (distance) P-C4' energy: -36.417
flat angles C4'-P-C4' energy: -27.949
flat angles P-C4'-P energy: -25.200
tors. eta vs tors. theta energy: -46.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -435.093262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.093262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.093262 (E_RNA)
where:
Base-Base interactions energy: -267.607
where: short stacking energy: -122.345
Base-Backbone interact. energy: 1.083
local terms energy: -168.569374
where:
bonds (distance) C4'-P energy: -32.852
bonds (distance) P-C4' energy: -37.071
flat angles C4'-P-C4' energy: -33.459
flat angles P-C4'-P energy: -24.403
tors. eta vs tors. theta energy: -40.784
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: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -405.913526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.913526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.913526 (E_RNA)
where:
Base-Base interactions energy: -260.394
where: short stacking energy: -102.180
Base-Backbone interact. energy: -0.377
local terms energy: -145.142771
where:
bonds (distance) C4'-P energy: -29.264
bonds (distance) P-C4' energy: -35.358
flat angles C4'-P-C4' energy: -37.428
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -24.829
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: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -288.197436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.197436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.197436 (E_RNA)
where:
Base-Base interactions energy: -153.848
where: short stacking energy: -81.475
Base-Backbone interact. energy: -0.215
local terms energy: -134.134936
where:
bonds (distance) C4'-P energy: -34.627
bonds (distance) P-C4' energy: -30.702
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -22.026
tors. eta vs tors. theta energy: -23.791
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: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -239.027387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.027387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.027387 (E_RNA)
where:
Base-Base interactions energy: -132.307
where: short stacking energy: -75.195
Base-Backbone interact. energy: -1.513
local terms energy: -105.206978
where:
bonds (distance) C4'-P energy: -28.168
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -32.094
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: -3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -167.814634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.814634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.814634 (E_RNA)
where:
Base-Base interactions energy: -55.067
where: short stacking energy: -46.857
Base-Backbone interact. energy: 1.164
local terms energy: -113.911545
where:
bonds (distance) C4'-P energy: -32.752
bonds (distance) P-C4' energy: -26.220
flat angles C4'-P-C4' energy: -33.704
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -174.289548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.289548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.289548 (E_RNA)
where:
Base-Base interactions energy: -81.840
where: short stacking energy: -50.885
Base-Backbone interact. energy: -0.505
local terms energy: -91.943850
where:
bonds (distance) C4'-P energy: -28.877
bonds (distance) P-C4' energy: -24.915
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -21.448
tors. eta vs tors. theta energy: 0.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -142.201193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.201193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.201193 (E_RNA)
where:
Base-Base interactions energy: -42.621
where: short stacking energy: -39.357
Base-Backbone interact. energy: -0.793
local terms energy: -98.786486
where:
bonds (distance) C4'-P energy: -28.605
bonds (distance) P-C4' energy: -33.932
flat angles C4'-P-C4' energy: -19.071
flat angles P-C4'-P energy: -23.066
tors. eta vs tors. theta energy: 5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -523.982439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.982439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.982439 (E_RNA)
where:
Base-Base interactions energy: -352.970
where: short stacking energy: -153.800
Base-Backbone interact. energy: -1.157
local terms energy: -169.855326
where:
bonds (distance) C4'-P energy: -33.412
bonds (distance) P-C4' energy: -33.837
flat angles C4'-P-C4' energy: -32.947
flat angles P-C4'-P energy: -24.842
tors. eta vs tors. theta energy: -44.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -524.624101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.624101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.624101 (E_RNA)
where:
Base-Base interactions energy: -346.927
where: short stacking energy: -138.976
Base-Backbone interact. energy: -0.502
local terms energy: -177.195239
where:
bonds (distance) C4'-P energy: -36.418
bonds (distance) P-C4' energy: -29.560
flat angles C4'-P-C4' energy: -40.612
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -47.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -502.815406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.815406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.815406 (E_RNA)
where:
Base-Base interactions energy: -325.868
where: short stacking energy: -157.033
Base-Backbone interact. energy: -0.143
local terms energy: -176.804331
where:
bonds (distance) C4'-P energy: -36.606
bonds (distance) P-C4' energy: -29.996
flat angles C4'-P-C4' energy: -36.928
flat angles P-C4'-P energy: -24.603
tors. eta vs tors. theta energy: -48.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -451.260361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.260361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.260361 (E_RNA)
where:
Base-Base interactions energy: -272.485
where: short stacking energy: -112.651
Base-Backbone interact. energy: -1.008
local terms energy: -177.767835
where:
bonds (distance) C4'-P energy: -39.258
bonds (distance) P-C4' energy: -37.307
flat angles C4'-P-C4' energy: -35.826
flat angles P-C4'-P energy: -27.813
tors. eta vs tors. theta energy: -37.564
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: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -423.685460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.685460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.685460 (E_RNA)
where:
Base-Base interactions energy: -264.649
where: short stacking energy: -101.009
Base-Backbone interact. energy: -0.909
local terms energy: -158.127072
where:
bonds (distance) C4'-P energy: -32.129
bonds (distance) P-C4' energy: -34.916
flat angles C4'-P-C4' energy: -33.755
flat angles P-C4'-P energy: -31.014
tors. eta vs tors. theta energy: -26.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -312.783794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.783794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.783794 (E_RNA)
where:
Base-Base interactions energy: -170.551
where: short stacking energy: -89.755
Base-Backbone interact. energy: -0.810
local terms energy: -141.422742
where:
bonds (distance) C4'-P energy: -34.987
bonds (distance) P-C4' energy: -28.893
flat angles C4'-P-C4' energy: -32.358
flat angles P-C4'-P energy: -19.384
tors. eta vs tors. theta energy: -25.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -240.453685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.453685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.453685 (E_RNA)
where:
Base-Base interactions energy: -119.712
where: short stacking energy: -62.018
Base-Backbone interact. energy: -0.485
local terms energy: -120.256887
where:
bonds (distance) C4'-P energy: -30.698
bonds (distance) P-C4' energy: -35.728
flat angles C4'-P-C4' energy: -28.869
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -171.859033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.859033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.859033 (E_RNA)
where:
Base-Base interactions energy: -79.590
where: short stacking energy: -45.255
Base-Backbone interact. energy: -0.350
local terms energy: -91.919530
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -27.880
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: 1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -163.286892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.286892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.286892 (E_RNA)
where:
Base-Base interactions energy: -62.536
where: short stacking energy: -40.971
Base-Backbone interact. energy: -0.427
local terms energy: -100.324445
where:
bonds (distance) C4'-P energy: -27.697
bonds (distance) P-C4' energy: -32.164
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: 6.916
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: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -147.286406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.286406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.286406 (E_RNA)
where:
Base-Base interactions energy: -40.455
where: short stacking energy: -29.161
Base-Backbone interact. energy: -1.370
local terms energy: -105.461931
where:
bonds (distance) C4'-P energy: -33.663
bonds (distance) P-C4' energy: -31.764
flat angles C4'-P-C4' energy: -30.551
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: 4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -536.272194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.272194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.272194 (E_RNA)
where:
Base-Base interactions energy: -361.435
where: short stacking energy: -145.530
Base-Backbone interact. energy: -0.963
local terms energy: -173.873885
where:
bonds (distance) C4'-P energy: -25.984
bonds (distance) P-C4' energy: -38.456
flat angles C4'-P-C4' energy: -38.053
flat angles P-C4'-P energy: -24.559
tors. eta vs tors. theta energy: -46.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -526.337458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.337458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.337458 (E_RNA)
where:
Base-Base interactions energy: -344.896
where: short stacking energy: -152.500
Base-Backbone interact. energy: -1.512
local terms energy: -179.929848
where:
bonds (distance) C4'-P energy: -36.078
bonds (distance) P-C4' energy: -35.426
flat angles C4'-P-C4' energy: -34.183
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -48.979
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: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -501.676848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.676848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.676848 (E_RNA)
where:
Base-Base interactions energy: -322.180
where: short stacking energy: -152.350
Base-Backbone interact. energy: -0.013
local terms energy: -179.483073
where:
bonds (distance) C4'-P energy: -33.239
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -34.508
flat angles P-C4'-P energy: -31.260
tors. eta vs tors. theta energy: -53.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -443.804989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.804989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.804989 (E_RNA)
where:
Base-Base interactions energy: -281.661
where: short stacking energy: -118.043
Base-Backbone interact. energy: -0.377
local terms energy: -161.766593
where:
bonds (distance) C4'-P energy: -35.773
bonds (distance) P-C4' energy: -25.887
flat angles C4'-P-C4' energy: -36.717
flat angles P-C4'-P energy: -22.054
tors. eta vs tors. theta energy: -41.336
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: 8
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -437.436213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.436213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.436213 (E_RNA)
where:
Base-Base interactions energy: -283.971
where: short stacking energy: -119.737
Base-Backbone interact. energy: 0.788
local terms energy: -154.252912
where:
bonds (distance) C4'-P energy: -26.276
bonds (distance) P-C4' energy: -36.934
flat angles C4'-P-C4' energy: -36.948
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: -35.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -304.053738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.053738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.053738 (E_RNA)
where:
Base-Base interactions energy: -178.399
where: short stacking energy: -62.075
Base-Backbone interact. energy: -0.380
local terms energy: -125.274800
where:
bonds (distance) C4'-P energy: -33.040
bonds (distance) P-C4' energy: -34.924
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -10.509
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: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -233.590494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.590494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.590494 (E_RNA)
where:
Base-Base interactions energy: -109.481
where: short stacking energy: -69.176
Base-Backbone interact. energy: -0.100
local terms energy: -124.009656
where:
bonds (distance) C4'-P energy: -24.373
bonds (distance) P-C4' energy: -34.343
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -11.461
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: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -177.804014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.804014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.804014 (E_RNA)
where:
Base-Base interactions energy: -64.595
where: short stacking energy: -60.838
Base-Backbone interact. energy: -0.272
local terms energy: -112.936734
where:
bonds (distance) C4'-P energy: -28.869
bonds (distance) P-C4' energy: -29.122
flat angles C4'-P-C4' energy: -33.563
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -4.888
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: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -156.153252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.153252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.153252 (E_RNA)
where:
Base-Base interactions energy: -41.945
where: short stacking energy: -24.096
Base-Backbone interact. energy: -0.524
local terms energy: -113.683905
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -39.015
flat angles C4'-P-C4' energy: -29.971
flat angles P-C4'-P energy: -19.018
tors. eta vs tors. theta energy: 3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -157.113371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.113371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.113371 (E_RNA)
where:
Base-Base interactions energy: -55.690
where: short stacking energy: -36.159
Base-Backbone interact. energy: -1.767
local terms energy: -99.656450
where:
bonds (distance) C4'-P energy: -34.321
bonds (distance) P-C4' energy: -30.207
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: 5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -542.391178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.391178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.391178 (E_RNA)
where:
Base-Base interactions energy: -364.121
where: short stacking energy: -147.458
Base-Backbone interact. energy: -0.427
local terms energy: -177.843766
where:
bonds (distance) C4'-P energy: -35.509
bonds (distance) P-C4' energy: -34.967
flat angles C4'-P-C4' energy: -36.396
flat angles P-C4'-P energy: -27.283
tors. eta vs tors. theta energy: -43.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -511.313428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.313428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.313428 (E_RNA)
where:
Base-Base interactions energy: -325.716
where: short stacking energy: -156.931
Base-Backbone interact. energy: -0.213
local terms energy: -185.384100
where:
bonds (distance) C4'-P energy: -36.025
bonds (distance) P-C4' energy: -39.811
flat angles C4'-P-C4' energy: -37.874
flat angles P-C4'-P energy: -19.444
tors. eta vs tors. theta energy: -52.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -513.528342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.528342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.528342 (E_RNA)
where:
Base-Base interactions energy: -334.420
where: short stacking energy: -156.284
Base-Backbone interact. energy: -0.282
local terms energy: -178.826194
where:
bonds (distance) C4'-P energy: -30.416
bonds (distance) P-C4' energy: -34.048
flat angles C4'-P-C4' energy: -37.304
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -51.631
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: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -451.215144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.215144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.215144 (E_RNA)
where:
Base-Base interactions energy: -283.182
where: short stacking energy: -127.538
Base-Backbone interact. energy: -0.799
local terms energy: -167.234029
where:
bonds (distance) C4'-P energy: -39.651
bonds (distance) P-C4' energy: -28.932
flat angles C4'-P-C4' energy: -34.777
flat angles P-C4'-P energy: -22.335
tors. eta vs tors. theta energy: -41.539
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: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -436.575724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.575724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.575724 (E_RNA)
where:
Base-Base interactions energy: -279.064
where: short stacking energy: -116.005
Base-Backbone interact. energy: -0.639
local terms energy: -156.873067
where:
bonds (distance) C4'-P energy: -33.423
bonds (distance) P-C4' energy: -35.627
flat angles C4'-P-C4' energy: -25.553
flat angles P-C4'-P energy: -24.452
tors. eta vs tors. theta energy: -37.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -324.373441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.373441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.373441 (E_RNA)
where:
Base-Base interactions energy: -196.351
where: short stacking energy: -77.979
Base-Backbone interact. energy: -0.865
local terms energy: -127.157351
where:
bonds (distance) C4'-P energy: -35.559
bonds (distance) P-C4' energy: -32.536
flat angles C4'-P-C4' energy: -27.885
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -215.673632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.673632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.673632 (E_RNA)
where:
Base-Base interactions energy: -95.178
where: short stacking energy: -66.800
Base-Backbone interact. energy: 2.128
local terms energy: -122.623424
where:
bonds (distance) C4'-P energy: -31.053
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -24.437
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -169.668962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.668962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.668962 (E_RNA)
where:
Base-Base interactions energy: -63.698
where: short stacking energy: -38.271
Base-Backbone interact. energy: -0.837
local terms energy: -105.134124
where:
bonds (distance) C4'-P energy: -27.712
bonds (distance) P-C4' energy: -32.265
flat angles C4'-P-C4' energy: -33.961
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: 1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -155.793135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.793135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.793135 (E_RNA)
where:
Base-Base interactions energy: -58.007
where: short stacking energy: -49.597
Base-Backbone interact. energy: -0.755
local terms energy: -97.030850
where:
bonds (distance) C4'-P energy: -32.435
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -28.491
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -152.384924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.384924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.384924 (E_RNA)
where:
Base-Base interactions energy: -47.412
where: short stacking energy: -42.183
Base-Backbone interact. energy: -0.854
local terms energy: -104.118777
where:
bonds (distance) C4'-P energy: -25.624
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -30.598
flat angles P-C4'-P energy: -22.848
tors. eta vs tors. theta energy: 5.156
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: 100
Temperature: 0.900000
Total energy: -528.739388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.739388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.739388 (E_RNA)
where:
Base-Base interactions energy: -348.362
where: short stacking energy: -168.084
Base-Backbone interact. energy: -0.051
local terms energy: -180.325677
where:
bonds (distance) C4'-P energy: -30.124
bonds (distance) P-C4' energy: -37.804
flat angles C4'-P-C4' energy: -34.476
flat angles P-C4'-P energy: -24.205
tors. eta vs tors. theta energy: -53.717
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: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -519.171524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.171524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.171524 (E_RNA)
where:
Base-Base interactions energy: -340.781
where: short stacking energy: -145.347
Base-Backbone interact. energy: -1.350
local terms energy: -177.041173
where:
bonds (distance) C4'-P energy: -30.372
bonds (distance) P-C4' energy: -34.398
flat angles C4'-P-C4' energy: -37.110
flat angles P-C4'-P energy: -29.527
tors. eta vs tors. theta energy: -45.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -513.797217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.797217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.797217 (E_RNA)
where:
Base-Base interactions energy: -326.805
where: short stacking energy: -159.416
Base-Backbone interact. energy: -0.599
local terms energy: -186.393169
where:
bonds (distance) C4'-P energy: -33.789
bonds (distance) P-C4' energy: -34.915
flat angles C4'-P-C4' energy: -36.894
flat angles P-C4'-P energy: -29.906
tors. eta vs tors. theta energy: -50.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -431.387760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.387760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.387760 (E_RNA)
where:
Base-Base interactions energy: -280.182
where: short stacking energy: -116.293
Base-Backbone interact. energy: -0.160
local terms energy: -151.045862
where:
bonds (distance) C4'-P energy: -31.468
bonds (distance) P-C4' energy: -32.685
flat angles C4'-P-C4' energy: -33.478
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -35.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -443.159841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.159841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.159841 (E_RNA)
where:
Base-Base interactions energy: -290.076
where: short stacking energy: -128.421
Base-Backbone interact. energy: -0.758
local terms energy: -152.325983
where:
bonds (distance) C4'-P energy: -35.134
bonds (distance) P-C4' energy: -27.329
flat angles C4'-P-C4' energy: -28.486
flat angles P-C4'-P energy: -22.688
tors. eta vs tors. theta energy: -38.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -336.885714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.885714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.885714 (E_RNA)
where:
Base-Base interactions energy: -205.515
where: short stacking energy: -99.820
Base-Backbone interact. energy: -0.565
local terms energy: -130.806111
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -34.439
flat angles C4'-P-C4' energy: -27.582
flat angles P-C4'-P energy: -20.534
tors. eta vs tors. theta energy: -21.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -190.167645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.167645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.167645 (E_RNA)
where:
Base-Base interactions energy: -72.104
where: short stacking energy: -45.531
Base-Backbone interact. energy: -1.915
local terms energy: -116.148638
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -38.275
flat angles C4'-P-C4' energy: -27.664
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: -5.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -189.307471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.307471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.307471 (E_RNA)
where:
Base-Base interactions energy: -58.654
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.361
local terms energy: -130.292457
where:
bonds (distance) C4'-P energy: -32.081
bonds (distance) P-C4' energy: -35.400
flat angles C4'-P-C4' energy: -33.434
flat angles P-C4'-P energy: -21.173
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -175.725557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.725557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.725557 (E_RNA)
where:
Base-Base interactions energy: -60.204
where: short stacking energy: -36.311
Base-Backbone interact. energy: 0.690
local terms energy: -116.210763
where:
bonds (distance) C4'-P energy: -34.751
bonds (distance) P-C4' energy: -28.568
flat angles C4'-P-C4' energy: -32.283
flat angles P-C4'-P energy: -24.763
tors. eta vs tors. theta energy: 4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -157.661631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.661631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.661631 (E_RNA)
where:
Base-Base interactions energy: -56.290
where: short stacking energy: -38.230
Base-Backbone interact. energy: -0.828
local terms energy: -100.543025
where:
bonds (distance) C4'-P energy: -27.478
bonds (distance) P-C4' energy: -36.235
flat angles C4'-P-C4' energy: -29.058
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: 1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -532.654102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.654102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.654102 (E_RNA)
where:
Base-Base interactions energy: -335.421
where: short stacking energy: -171.407
Base-Backbone interact. energy: 2.412
local terms energy: -199.644697
where:
bonds (distance) C4'-P energy: -35.623
bonds (distance) P-C4' energy: -40.324
flat angles C4'-P-C4' energy: -34.980
flat angles P-C4'-P energy: -29.647
tors. eta vs tors. theta energy: -59.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -508.643162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.643162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.643162 (E_RNA)
where:
Base-Base interactions energy: -333.285
where: short stacking energy: -160.475
Base-Backbone interact. energy: 0.358
local terms energy: -175.716198
where:
bonds (distance) C4'-P energy: -34.877
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -39.064
flat angles P-C4'-P energy: -22.184
tors. eta vs tors. theta energy: -50.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -500.609498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.609498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.609498 (E_RNA)
where:
Base-Base interactions energy: -334.990
where: short stacking energy: -138.387
Base-Backbone interact. energy: -1.200
local terms energy: -164.419565
where:
bonds (distance) C4'-P energy: -31.863
bonds (distance) P-C4' energy: -26.260
flat angles C4'-P-C4' energy: -36.472
flat angles P-C4'-P energy: -25.055
tors. eta vs tors. theta energy: -44.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -441.798124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.798124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.798124 (E_RNA)
where:
Base-Base interactions energy: -280.984
where: short stacking energy: -113.898
Base-Backbone interact. energy: -0.571
local terms energy: -160.243385
where:
bonds (distance) C4'-P energy: -32.625
bonds (distance) P-C4' energy: -32.376
flat angles C4'-P-C4' energy: -39.032
flat angles P-C4'-P energy: -27.424
tors. eta vs tors. theta energy: -28.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -432.387970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.387970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.387970 (E_RNA)
where:
Base-Base interactions energy: -279.600
where: short stacking energy: -132.240
Base-Backbone interact. energy: -0.440
local terms energy: -152.347423
where:
bonds (distance) C4'-P energy: -31.295
bonds (distance) P-C4' energy: -29.445
flat angles C4'-P-C4' energy: -31.131
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -43.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -307.762618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.762618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.762618 (E_RNA)
where:
Base-Base interactions energy: -184.609
where: short stacking energy: -74.634
Base-Backbone interact. energy: -0.241
local terms energy: -122.911713
where:
bonds (distance) C4'-P energy: -28.628
bonds (distance) P-C4' energy: -36.080
flat angles C4'-P-C4' energy: -24.303
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -21.338
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: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -191.607798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.607798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.607798 (E_RNA)
where:
Base-Base interactions energy: -78.420
where: short stacking energy: -47.543
Base-Backbone interact. energy: 3.208
local terms energy: -116.395875
where:
bonds (distance) C4'-P energy: -30.347
bonds (distance) P-C4' energy: -37.744
flat angles C4'-P-C4' energy: -31.644
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: 0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -196.841247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.841247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.841247 (E_RNA)
where:
Base-Base interactions energy: -92.273
where: short stacking energy: -53.214
Base-Backbone interact. energy: -2.017
local terms energy: -102.551780
where:
bonds (distance) C4'-P energy: -36.166
bonds (distance) P-C4' energy: -28.943
flat angles C4'-P-C4' energy: -26.465
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -187.800140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.800140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.800140 (E_RNA)
where:
Base-Base interactions energy: -90.443
where: short stacking energy: -54.401
Base-Backbone interact. energy: -0.713
local terms energy: -96.644341
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -31.202
flat angles C4'-P-C4' energy: -25.950
flat angles P-C4'-P energy: -14.434
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: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -144.944879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.944879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.944879 (E_RNA)
where:
Base-Base interactions energy: -49.192
where: short stacking energy: -43.234
Base-Backbone interact. energy: -0.689
local terms energy: -95.063439
where:
bonds (distance) C4'-P energy: -32.604
bonds (distance) P-C4' energy: -35.677
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: 2.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -541.482523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.482523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.482523 (E_RNA)
where:
Base-Base interactions energy: -347.428
where: short stacking energy: -175.826
Base-Backbone interact. energy: -0.047
local terms energy: -194.008296
where:
bonds (distance) C4'-P energy: -34.811
bonds (distance) P-C4' energy: -36.797
flat angles C4'-P-C4' energy: -38.846
flat angles P-C4'-P energy: -26.624
tors. eta vs tors. theta energy: -56.930
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: 6
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -516.840571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.840571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.840571 (E_RNA)
where:
Base-Base interactions energy: -348.891
where: short stacking energy: -161.707
Base-Backbone interact. energy: 0.083
local terms energy: -168.032012
where:
bonds (distance) C4'-P energy: -25.162
bonds (distance) P-C4' energy: -26.220
flat angles C4'-P-C4' energy: -38.474
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: -53.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -495.703435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.703435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.703435 (E_RNA)
where:
Base-Base interactions energy: -326.144
where: short stacking energy: -148.556
Base-Backbone interact. energy: -0.570
local terms energy: -168.988999
where:
bonds (distance) C4'-P energy: -28.252
bonds (distance) P-C4' energy: -34.806
flat angles C4'-P-C4' energy: -35.722
flat angles P-C4'-P energy: -24.701
tors. eta vs tors. theta energy: -45.508
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: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -401.686310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.686310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.686310 (E_RNA)
where:
Base-Base interactions energy: -253.376
where: short stacking energy: -100.925
Base-Backbone interact. energy: -0.450
local terms energy: -147.860897
where:
bonds (distance) C4'-P energy: -30.825
bonds (distance) P-C4' energy: -35.671
flat angles C4'-P-C4' energy: -33.822
flat angles P-C4'-P energy: -16.557
tors. eta vs tors. theta energy: -30.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -440.339591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.339591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.339591 (E_RNA)
where:
Base-Base interactions energy: -287.222
where: short stacking energy: -132.610
Base-Backbone interact. energy: -0.928
local terms energy: -152.188614
where:
bonds (distance) C4'-P energy: -29.189
bonds (distance) P-C4' energy: -26.063
flat angles C4'-P-C4' energy: -36.696
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -41.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -303.301841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.301841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.301841 (E_RNA)
where:
Base-Base interactions energy: -169.877
where: short stacking energy: -84.867
Base-Backbone interact. energy: 0.019
local terms energy: -133.443513
where:
bonds (distance) C4'-P energy: -29.736
bonds (distance) P-C4' energy: -34.727
flat angles C4'-P-C4' energy: -28.596
flat angles P-C4'-P energy: -21.886
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -191.568015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.568015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.568015 (E_RNA)
where:
Base-Base interactions energy: -79.689
where: short stacking energy: -64.456
Base-Backbone interact. energy: 4.785
local terms energy: -116.664112
where:
bonds (distance) C4'-P energy: -27.418
bonds (distance) P-C4' energy: -34.699
flat angles C4'-P-C4' energy: -28.708
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -12.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -184.801129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.801129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.801129 (E_RNA)
where:
Base-Base interactions energy: -86.693
where: short stacking energy: -57.417
Base-Backbone interact. energy: 1.144
local terms energy: -99.252017
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -33.919
flat angles C4'-P-C4' energy: -23.921
flat angles P-C4'-P energy: -11.708
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: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -171.215606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.215606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.215606 (E_RNA)
where:
Base-Base interactions energy: -60.940
where: short stacking energy: -49.611
Base-Backbone interact. energy: -0.473
local terms energy: -109.802359
where:
bonds (distance) C4'-P energy: -24.708
bonds (distance) P-C4' energy: -27.479
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -13.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -140.201214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.201214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.201214 (E_RNA)
where:
Base-Base interactions energy: -43.752
where: short stacking energy: -41.528
Base-Backbone interact. energy: -0.445
local terms energy: -96.004083
where:
bonds (distance) C4'-P energy: -26.255
bonds (distance) P-C4' energy: -26.981
flat angles C4'-P-C4' energy: -31.140
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: 2.009
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: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -551.051864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.051864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.051864 (E_RNA)
where:
Base-Base interactions energy: -349.951
where: short stacking energy: -168.362
Base-Backbone interact. energy: -0.124
local terms energy: -200.977104
where:
bonds (distance) C4'-P energy: -37.211
bonds (distance) P-C4' energy: -39.671
flat angles C4'-P-C4' energy: -40.794
flat angles P-C4'-P energy: -24.732
tors. eta vs tors. theta energy: -58.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -521.600414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.600414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.600414 (E_RNA)
where:
Base-Base interactions energy: -340.602
where: short stacking energy: -159.483
Base-Backbone interact. energy: -1.992
local terms energy: -179.006162
where:
bonds (distance) C4'-P energy: -31.638
bonds (distance) P-C4' energy: -32.246
flat angles C4'-P-C4' energy: -38.334
flat angles P-C4'-P energy: -23.025
tors. eta vs tors. theta energy: -53.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -497.150048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.150048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.150048 (E_RNA)
where:
Base-Base interactions energy: -335.708
where: short stacking energy: -144.594
Base-Backbone interact. energy: -0.139
local terms energy: -161.303577
where:
bonds (distance) C4'-P energy: -35.772
bonds (distance) P-C4' energy: -29.822
flat angles C4'-P-C4' energy: -30.392
flat angles P-C4'-P energy: -17.529
tors. eta vs tors. theta energy: -47.789
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: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -474.441740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.441740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.441740 (E_RNA)
where:
Base-Base interactions energy: -303.093
where: short stacking energy: -130.312
Base-Backbone interact. energy: -1.357
local terms energy: -169.991417
where:
bonds (distance) C4'-P energy: -36.453
bonds (distance) P-C4' energy: -31.224
flat angles C4'-P-C4' energy: -34.236
flat angles P-C4'-P energy: -28.117
tors. eta vs tors. theta energy: -39.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -397.142048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.142048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.142048 (E_RNA)
where:
Base-Base interactions energy: -251.361
where: short stacking energy: -103.639
Base-Backbone interact. energy: 0.818
local terms energy: -146.598545
where:
bonds (distance) C4'-P energy: -31.928
bonds (distance) P-C4' energy: -36.751
flat angles C4'-P-C4' energy: -33.773
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: -25.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -290.060853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.060853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.060853 (E_RNA)
where:
Base-Base interactions energy: -167.679
where: short stacking energy: -79.374
Base-Backbone interact. energy: -1.085
local terms energy: -121.296329
where:
bonds (distance) C4'-P energy: -26.482
bonds (distance) P-C4' energy: -27.291
flat angles C4'-P-C4' energy: -32.506
flat angles P-C4'-P energy: -18.270
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -174.667844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.667844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.667844 (E_RNA)
where:
Base-Base interactions energy: -89.283
where: short stacking energy: -49.860
Base-Backbone interact. energy: -0.959
local terms energy: -84.425286
where:
bonds (distance) C4'-P energy: -26.331
bonds (distance) P-C4' energy: -26.558
flat angles C4'-P-C4' energy: -26.193
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: 5.790
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: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -169.813617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.813617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.813617 (E_RNA)
where:
Base-Base interactions energy: -55.449
where: short stacking energy: -45.248
Base-Backbone interact. energy: 0.279
local terms energy: -114.642855
where:
bonds (distance) C4'-P energy: -33.481
bonds (distance) P-C4' energy: -27.276
flat angles C4'-P-C4' energy: -26.945
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -148.539731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.539731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.539731 (E_RNA)
where:
Base-Base interactions energy: -50.512
where: short stacking energy: -43.208
Base-Backbone interact. energy: -0.588
local terms energy: -97.439528
where:
bonds (distance) C4'-P energy: -28.699
bonds (distance) P-C4' energy: -24.844
flat angles C4'-P-C4' energy: -32.292
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: 1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -155.763047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.763047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.763047 (E_RNA)
where:
Base-Base interactions energy: -45.977
where: short stacking energy: -38.926
Base-Backbone interact. energy: -0.350
local terms energy: -109.435933
where:
bonds (distance) C4'-P energy: -31.909
bonds (distance) P-C4' energy: -25.317
flat angles C4'-P-C4' energy: -28.538
flat angles P-C4'-P energy: -21.603
tors. eta vs tors. theta energy: -2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -543.153448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.153448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.153448 (E_RNA)
where:
Base-Base interactions energy: -355.920
where: short stacking energy: -171.812
Base-Backbone interact. energy: -0.005
local terms energy: -187.228167
where:
bonds (distance) C4'-P energy: -40.350
bonds (distance) P-C4' energy: -31.650
flat angles C4'-P-C4' energy: -33.868
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -58.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -524.571522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.571522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.571522 (E_RNA)
where:
Base-Base interactions energy: -333.583
where: short stacking energy: -154.757
Base-Backbone interact. energy: -0.607
local terms energy: -190.382125
where:
bonds (distance) C4'-P energy: -31.043
bonds (distance) P-C4' energy: -37.823
flat angles C4'-P-C4' energy: -41.952
flat angles P-C4'-P energy: -27.777
tors. eta vs tors. theta energy: -51.787
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: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -507.639099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.639099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.639099 (E_RNA)
where:
Base-Base interactions energy: -337.761
where: short stacking energy: -150.275
Base-Backbone interact. energy: -1.655
local terms energy: -168.223586
where:
bonds (distance) C4'-P energy: -30.044
bonds (distance) P-C4' energy: -28.358
flat angles C4'-P-C4' energy: -38.511
flat angles P-C4'-P energy: -26.764
tors. eta vs tors. theta energy: -44.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -445.551985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.551985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.551985 (E_RNA)
where:
Base-Base interactions energy: -283.187
where: short stacking energy: -133.947
Base-Backbone interact. energy: -0.242
local terms energy: -162.123613
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -28.039
flat angles C4'-P-C4' energy: -36.628
flat angles P-C4'-P energy: -20.265
tors. eta vs tors. theta energy: -47.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -382.206185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.206185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.206185 (E_RNA)
where:
Base-Base interactions energy: -253.477
where: short stacking energy: -107.634
Base-Backbone interact. energy: 3.856
local terms energy: -132.584865
where:
bonds (distance) C4'-P energy: -27.478
bonds (distance) P-C4' energy: -39.533
flat angles C4'-P-C4' energy: -28.306
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -23.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -268.012765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.012765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.012765 (E_RNA)
where:
Base-Base interactions energy: -152.071
where: short stacking energy: -79.459
Base-Backbone interact. energy: 0.220
local terms energy: -116.161337
where:
bonds (distance) C4'-P energy: -27.420
bonds (distance) P-C4' energy: -31.003
flat angles C4'-P-C4' energy: -25.213
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -174.107117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.107117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.107117 (E_RNA)
where:
Base-Base interactions energy: -55.413
where: short stacking energy: -55.413
Base-Backbone interact. energy: -0.265
local terms energy: -118.429307
where:
bonds (distance) C4'-P energy: -25.456
bonds (distance) P-C4' energy: -30.138
flat angles C4'-P-C4' energy: -35.933
flat angles P-C4'-P energy: -23.816
tors. eta vs tors. theta energy: -3.086
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: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -153.832478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.832478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.832478 (E_RNA)
where:
Base-Base interactions energy: -46.819
where: short stacking energy: -41.183
Base-Backbone interact. energy: -0.390
local terms energy: -106.623669
where:
bonds (distance) C4'-P energy: -33.510
bonds (distance) P-C4' energy: -32.711
flat angles C4'-P-C4' energy: -27.152
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -199.640749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.640749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.640749 (E_RNA)
where:
Base-Base interactions energy: -90.089
where: short stacking energy: -55.139
Base-Backbone interact. energy: 1.982
local terms energy: -111.533918
where:
bonds (distance) C4'-P energy: -31.958
bonds (distance) P-C4' energy: -35.730
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -4.105
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: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -152.170470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.170470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.170470 (E_RNA)
where:
Base-Base interactions energy: -40.052
where: short stacking energy: -40.052
Base-Backbone interact. energy: -0.324
local terms energy: -111.795008
where:
bonds (distance) C4'-P energy: -34.629
bonds (distance) P-C4' energy: -33.266
flat angles C4'-P-C4' energy: -31.017
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: 2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -544.097407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.097407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.097407 (E_RNA)
where:
Base-Base interactions energy: -348.716
where: short stacking energy: -176.960
Base-Backbone interact. energy: -0.365
local terms energy: -195.016574
where:
bonds (distance) C4'-P energy: -32.919
bonds (distance) P-C4' energy: -38.309
flat angles C4'-P-C4' energy: -41.509
flat angles P-C4'-P energy: -24.882
tors. eta vs tors. theta energy: -57.398
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: 6
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -526.211960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.211960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.211960 (E_RNA)
where:
Base-Base interactions energy: -352.252
where: short stacking energy: -164.501
Base-Backbone interact. energy: 1.073
local terms energy: -175.033482
where:
bonds (distance) C4'-P energy: -39.427
bonds (distance) P-C4' energy: -29.163
flat angles C4'-P-C4' energy: -26.704
flat angles P-C4'-P energy: -31.003
tors. eta vs tors. theta energy: -48.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -506.894936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.894936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.894936 (E_RNA)
where:
Base-Base interactions energy: -333.893
where: short stacking energy: -142.769
Base-Backbone interact. energy: -0.658
local terms energy: -172.343081
where:
bonds (distance) C4'-P energy: -29.912
bonds (distance) P-C4' energy: -36.579
flat angles C4'-P-C4' energy: -35.995
flat angles P-C4'-P energy: -26.803
tors. eta vs tors. theta energy: -43.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -425.341725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.341725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.341725 (E_RNA)
where:
Base-Base interactions energy: -282.866
where: short stacking energy: -111.127
Base-Backbone interact. energy: 1.261
local terms energy: -143.737137
where:
bonds (distance) C4'-P energy: -31.170
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -36.472
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: -29.110
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: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -410.309094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.309094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.309094 (E_RNA)
where:
Base-Base interactions energy: -256.846
where: short stacking energy: -121.284
Base-Backbone interact. energy: -0.126
local terms energy: -153.337748
where:
bonds (distance) C4'-P energy: -31.556
bonds (distance) P-C4' energy: -31.333
flat angles C4'-P-C4' energy: -28.037
flat angles P-C4'-P energy: -24.496
tors. eta vs tors. theta energy: -37.916
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: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -279.877180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.877180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.877180 (E_RNA)
where:
Base-Base interactions energy: -157.202
where: short stacking energy: -84.125
Base-Backbone interact. energy: -0.126
local terms energy: -122.548705
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -23.877
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -25.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -204.174034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.174034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.174034 (E_RNA)
where:
Base-Base interactions energy: -81.674
where: short stacking energy: -48.685
Base-Backbone interact. energy: -0.555
local terms energy: -121.945470
where:
bonds (distance) C4'-P energy: -36.779
bonds (distance) P-C4' energy: -39.974
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -0.034
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: 105
Temperature: 1.250000
Total energy: -179.989418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.989418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.989418 (E_RNA)
where:
Base-Base interactions energy: -68.683
where: short stacking energy: -37.599
Base-Backbone interact. energy: -0.409
local terms energy: -110.896842
where:
bonds (distance) C4'-P energy: -27.340
bonds (distance) P-C4' energy: -33.861
flat angles C4'-P-C4' energy: -31.824
flat angles P-C4'-P energy: -22.070
tors. eta vs tors. theta energy: 4.198
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: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -153.950980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.950980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.950980 (E_RNA)
where:
Base-Base interactions energy: -48.171
where: short stacking energy: -31.394
Base-Backbone interact. energy: -0.687
local terms energy: -105.093036
where:
bonds (distance) C4'-P energy: -34.397
bonds (distance) P-C4' energy: -30.735
flat angles C4'-P-C4' energy: -26.959
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: 5.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -143.896550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.896550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.896550 (E_RNA)
where:
Base-Base interactions energy: -44.317
where: short stacking energy: -24.346
Base-Backbone interact. energy: 0.142
local terms energy: -99.721061
where:
bonds (distance) C4'-P energy: -35.661
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -31.607
flat angles P-C4'-P energy: -20.278
tors. eta vs tors. theta energy: 11.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -538.043116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.043116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.043116 (E_RNA)
where:
Base-Base interactions energy: -343.503
where: short stacking energy: -162.469
Base-Backbone interact. energy: -0.911
local terms energy: -193.629539
where:
bonds (distance) C4'-P energy: -37.583
bonds (distance) P-C4' energy: -38.734
flat angles C4'-P-C4' energy: -37.602
flat angles P-C4'-P energy: -27.208
tors. eta vs tors. theta energy: -52.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -514.823964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.823964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.823964 (E_RNA)
where:
Base-Base interactions energy: -329.362
where: short stacking energy: -150.966
Base-Backbone interact. energy: -0.652
local terms energy: -184.809528
where:
bonds (distance) C4'-P energy: -30.054
bonds (distance) P-C4' energy: -34.852
flat angles C4'-P-C4' energy: -33.505
flat angles P-C4'-P energy: -29.325
tors. eta vs tors. theta energy: -57.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -503.064621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.064621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.064621 (E_RNA)
where:
Base-Base interactions energy: -332.724
where: short stacking energy: -141.059
Base-Backbone interact. energy: -0.618
local terms energy: -169.722922
where:
bonds (distance) C4'-P energy: -37.932
bonds (distance) P-C4' energy: -29.139
flat angles C4'-P-C4' energy: -37.990
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -41.288
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: 4, replica: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -412.335848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.335848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.335848 (E_RNA)
where:
Base-Base interactions energy: -264.541
where: short stacking energy: -120.828
Base-Backbone interact. energy: 0.477
local terms energy: -148.271250
where:
bonds (distance) C4'-P energy: -32.207
bonds (distance) P-C4' energy: -34.213
flat angles C4'-P-C4' energy: -34.973
flat angles P-C4'-P energy: -16.488
tors. eta vs tors. theta energy: -30.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -394.481357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.481357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.481357 (E_RNA)
where:
Base-Base interactions energy: -237.026
where: short stacking energy: -97.049
Base-Backbone interact. energy: -0.377
local terms energy: -157.078435
where:
bonds (distance) C4'-P energy: -31.796
bonds (distance) P-C4' energy: -35.349
flat angles C4'-P-C4' energy: -38.756
flat angles P-C4'-P energy: -28.449
tors. eta vs tors. theta energy: -22.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -287.452669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.452669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.452669 (E_RNA)
where:
Base-Base interactions energy: -174.196
where: short stacking energy: -79.362
Base-Backbone interact. energy: -0.535
local terms energy: -112.721862
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -31.726
flat angles C4'-P-C4' energy: -29.947
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -12.745
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: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -198.672950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.672950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.672950 (E_RNA)
where:
Base-Base interactions energy: -85.684
where: short stacking energy: -65.899
Base-Backbone interact. energy: 0.224
local terms energy: -113.213078
where:
bonds (distance) C4'-P energy: -30.553
bonds (distance) P-C4' energy: -27.064
flat angles C4'-P-C4' energy: -28.962
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -184.004291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.004291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.004291 (E_RNA)
where:
Base-Base interactions energy: -72.667
where: short stacking energy: -66.712
Base-Backbone interact. energy: -1.496
local terms energy: -109.842202
where:
bonds (distance) C4'-P energy: -35.174
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -33.156
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -160.112339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.112339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.112339 (E_RNA)
where:
Base-Base interactions energy: -61.902
where: short stacking energy: -42.287
Base-Backbone interact. energy: -0.618
local terms energy: -97.591578
where:
bonds (distance) C4'-P energy: -30.330
bonds (distance) P-C4' energy: -28.505
flat angles C4'-P-C4' energy: -29.339
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: 1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -151.835315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.835315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.835315 (E_RNA)
where:
Base-Base interactions energy: -54.024
where: short stacking energy: -44.380
Base-Backbone interact. energy: -1.206
local terms energy: -96.605327
where:
bonds (distance) C4'-P energy: -21.421
bonds (distance) P-C4' energy: -35.078
flat angles C4'-P-C4' energy: -28.097
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -520.004408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.004408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.004408 (E_RNA)
where:
Base-Base interactions energy: -345.922
where: short stacking energy: -159.913
Base-Backbone interact. energy: -0.711
local terms energy: -173.371431
where:
bonds (distance) C4'-P energy: -29.587
bonds (distance) P-C4' energy: -36.588
flat angles C4'-P-C4' energy: -33.697
flat angles P-C4'-P energy: -23.295
tors. eta vs tors. theta energy: -50.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -507.979177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.979177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.979177 (E_RNA)
where:
Base-Base interactions energy: -324.139
where: short stacking energy: -160.712
Base-Backbone interact. energy: -0.101
local terms energy: -183.739121
where:
bonds (distance) C4'-P energy: -27.096
bonds (distance) P-C4' energy: -38.412
flat angles C4'-P-C4' energy: -39.561
flat angles P-C4'-P energy: -27.389
tors. eta vs tors. theta energy: -51.281
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: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -498.954286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.954286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.954286 (E_RNA)
where:
Base-Base interactions energy: -330.250
where: short stacking energy: -138.796
Base-Backbone interact. energy: -0.150
local terms energy: -168.554556
where:
bonds (distance) C4'-P energy: -32.421
bonds (distance) P-C4' energy: -39.117
flat angles C4'-P-C4' energy: -32.178
flat angles P-C4'-P energy: -23.649
tors. eta vs tors. theta energy: -41.190
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: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -415.584353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.584353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.584353 (E_RNA)
where:
Base-Base interactions energy: -245.969
where: short stacking energy: -122.204
Base-Backbone interact. energy: -0.221
local terms energy: -169.393847
where:
bonds (distance) C4'-P energy: -30.729
bonds (distance) P-C4' energy: -37.810
flat angles C4'-P-C4' energy: -33.908
flat angles P-C4'-P energy: -26.086
tors. eta vs tors. theta energy: -40.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -388.149226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.149226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.149226 (E_RNA)
where:
Base-Base interactions energy: -247.329
where: short stacking energy: -105.762
Base-Backbone interact. energy: -0.288
local terms energy: -140.532382
where:
bonds (distance) C4'-P energy: -25.635
bonds (distance) P-C4' energy: -32.779
flat angles C4'-P-C4' energy: -36.754
flat angles P-C4'-P energy: -18.436
tors. eta vs tors. theta energy: -26.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -304.849198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.849198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.849198 (E_RNA)
where:
Base-Base interactions energy: -169.372
where: short stacking energy: -93.657
Base-Backbone interact. energy: 1.131
local terms energy: -136.608349
where:
bonds (distance) C4'-P energy: -29.486
bonds (distance) P-C4' energy: -31.864
flat angles C4'-P-C4' energy: -37.469
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -187.517567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.517567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.517567 (E_RNA)
where:
Base-Base interactions energy: -68.748
where: short stacking energy: -47.296
Base-Backbone interact. energy: -0.902
local terms energy: -117.867569
where:
bonds (distance) C4'-P energy: -32.676
bonds (distance) P-C4' energy: -29.401
flat angles C4'-P-C4' energy: -30.593
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -8.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -174.361589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.361589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.361589 (E_RNA)
where:
Base-Base interactions energy: -55.927
where: short stacking energy: -31.975
Base-Backbone interact. energy: -1.595
local terms energy: -116.839587
where:
bonds (distance) C4'-P energy: -34.911
bonds (distance) P-C4' energy: -28.855
flat angles C4'-P-C4' energy: -27.200
flat angles P-C4'-P energy: -22.962
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -168.148803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.148803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.148803 (E_RNA)
where:
Base-Base interactions energy: -59.008
where: short stacking energy: -57.941
Base-Backbone interact. energy: 0.625
local terms energy: -109.765286
where:
bonds (distance) C4'-P energy: -33.074
bonds (distance) P-C4' energy: -27.192
flat angles C4'-P-C4' energy: -25.731
flat angles P-C4'-P energy: -22.724
tors. eta vs tors. theta energy: -1.045
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: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -154.254371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.254371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.254371 (E_RNA)
where:
Base-Base interactions energy: -68.257
where: short stacking energy: -40.496
Base-Backbone interact. energy: 0.116
local terms energy: -86.114011
where:
bonds (distance) C4'-P energy: -29.219
bonds (distance) P-C4' energy: -36.484
flat angles C4'-P-C4' energy: -8.079
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -525.979229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.979229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.979229 (E_RNA)
where:
Base-Base interactions energy: -344.920
where: short stacking energy: -151.594
Base-Backbone interact. energy: -0.208
local terms energy: -180.850758
where:
bonds (distance) C4'-P energy: -34.336
bonds (distance) P-C4' energy: -30.796
flat angles C4'-P-C4' energy: -35.091
flat angles P-C4'-P energy: -30.488
tors. eta vs tors. theta energy: -50.141
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: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -522.604984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.604984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.604984 (E_RNA)
where:
Base-Base interactions energy: -326.620
where: short stacking energy: -172.883
Base-Backbone interact. energy: -0.117
local terms energy: -195.868166
where:
bonds (distance) C4'-P energy: -32.558
bonds (distance) P-C4' energy: -38.272
flat angles C4'-P-C4' energy: -40.445
flat angles P-C4'-P energy: -26.991
tors. eta vs tors. theta energy: -57.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -491.598813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.598813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.598813 (E_RNA)
where:
Base-Base interactions energy: -333.232
where: short stacking energy: -132.235
Base-Backbone interact. energy: -0.722
local terms energy: -157.644660
where:
bonds (distance) C4'-P energy: -32.119
bonds (distance) P-C4' energy: -28.982
flat angles C4'-P-C4' energy: -34.750
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -38.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -423.825079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.825079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.825079 (E_RNA)
where:
Base-Base interactions energy: -252.588
where: short stacking energy: -115.902
Base-Backbone interact. energy: 2.205
local terms energy: -173.441579
where:
bonds (distance) C4'-P energy: -36.951
bonds (distance) P-C4' energy: -36.207
flat angles C4'-P-C4' energy: -36.812
flat angles P-C4'-P energy: -21.086
tors. eta vs tors. theta energy: -42.386
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: 8
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -344.600221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.600221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.600221 (E_RNA)
where:
Base-Base interactions energy: -212.699
where: short stacking energy: -85.903
Base-Backbone interact. energy: 5.401
local terms energy: -137.302108
where:
bonds (distance) C4'-P energy: -29.203
bonds (distance) P-C4' energy: -34.504
flat angles C4'-P-C4' energy: -34.495
flat angles P-C4'-P energy: -21.771
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -276.119599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.119599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.119599 (E_RNA)
where:
Base-Base interactions energy: -147.530
where: short stacking energy: -77.329
Base-Backbone interact. energy: 0.192
local terms energy: -128.781805
where:
bonds (distance) C4'-P energy: -35.931
bonds (distance) P-C4' energy: -29.794
flat angles C4'-P-C4' energy: -23.472
flat angles P-C4'-P energy: -22.503
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -192.728034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.728034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.728034 (E_RNA)
where:
Base-Base interactions energy: -80.836
where: short stacking energy: -48.228
Base-Backbone interact. energy: -0.878
local terms energy: -111.013826
where:
bonds (distance) C4'-P energy: -34.008
bonds (distance) P-C4' energy: -33.735
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -24.427
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: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -161.906061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.906061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.906061 (E_RNA)
where:
Base-Base interactions energy: -55.319
where: short stacking energy: -52.301
Base-Backbone interact. energy: -0.313
local terms energy: -106.274477
where:
bonds (distance) C4'-P energy: -27.951
bonds (distance) P-C4' energy: -35.453
flat angles C4'-P-C4' energy: -30.826
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -3.355
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: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -169.874214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.874214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.874214 (E_RNA)
where:
Base-Base interactions energy: -70.719
where: short stacking energy: -33.571
Base-Backbone interact. energy: -0.653
local terms energy: -98.502749
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -35.345
flat angles C4'-P-C4' energy: -31.665
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: 10.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -151.577609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.577609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.577609 (E_RNA)
where:
Base-Base interactions energy: -57.232
where: short stacking energy: -51.136
Base-Backbone interact. energy: 0.684
local terms energy: -95.029593
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -31.665
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: 2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -535.871369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.871369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.871369 (E_RNA)
where:
Base-Base interactions energy: -347.543
where: short stacking energy: -172.498
Base-Backbone interact. energy: -0.638
local terms energy: -187.690891
where:
bonds (distance) C4'-P energy: -32.070
bonds (distance) P-C4' energy: -34.899
flat angles C4'-P-C4' energy: -40.539
flat angles P-C4'-P energy: -25.894
tors. eta vs tors. theta energy: -54.288
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: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -530.311102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.311102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.311102 (E_RNA)
where:
Base-Base interactions energy: -345.840
where: short stacking energy: -171.194
Base-Backbone interact. energy: -0.292
local terms energy: -184.178557
where:
bonds (distance) C4'-P energy: -32.151
bonds (distance) P-C4' energy: -27.474
flat angles C4'-P-C4' energy: -37.343
flat angles P-C4'-P energy: -30.347
tors. eta vs tors. theta energy: -56.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -495.523591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.523591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.523591 (E_RNA)
where:
Base-Base interactions energy: -329.683
where: short stacking energy: -149.837
Base-Backbone interact. energy: -1.083
local terms energy: -164.757809
where:
bonds (distance) C4'-P energy: -28.420
bonds (distance) P-C4' energy: -34.083
flat angles C4'-P-C4' energy: -39.767
flat angles P-C4'-P energy: -21.175
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: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -457.012184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.012184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.012184 (E_RNA)
where:
Base-Base interactions energy: -288.414
where: short stacking energy: -139.599
Base-Backbone interact. energy: -0.370
local terms energy: -168.228571
where:
bonds (distance) C4'-P energy: -36.926
bonds (distance) P-C4' energy: -32.653
flat angles C4'-P-C4' energy: -36.891
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: -41.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -365.657843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.657843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.657843 (E_RNA)
where:
Base-Base interactions energy: -220.173
where: short stacking energy: -106.227
Base-Backbone interact. energy: -0.247
local terms energy: -145.237618
where:
bonds (distance) C4'-P energy: -32.326
bonds (distance) P-C4' energy: -31.344
flat angles C4'-P-C4' energy: -32.432
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -28.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -273.214345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.214345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.214345 (E_RNA)
where:
Base-Base interactions energy: -148.970
where: short stacking energy: -71.801
Base-Backbone interact. energy: 0.495
local terms energy: -124.739734
where:
bonds (distance) C4'-P energy: -33.357
bonds (distance) P-C4' energy: -29.472
flat angles C4'-P-C4' energy: -30.689
flat angles P-C4'-P energy: -19.313
tors. eta vs tors. theta energy: -11.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -186.116387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.116387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.116387 (E_RNA)
where:
Base-Base interactions energy: -69.209
where: short stacking energy: -59.236
Base-Backbone interact. energy: 0.747
local terms energy: -117.654393
where:
bonds (distance) C4'-P energy: -30.853
bonds (distance) P-C4' energy: -38.748
flat angles C4'-P-C4' energy: -26.811
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -11.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -175.494113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.494113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.494113 (E_RNA)
where:
Base-Base interactions energy: -51.321
where: short stacking energy: -46.832
Base-Backbone interact. energy: -0.591
local terms energy: -123.582181
where:
bonds (distance) C4'-P energy: -35.642
bonds (distance) P-C4' energy: -38.732
flat angles C4'-P-C4' energy: -28.448
flat angles P-C4'-P energy: -16.904
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: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -160.391267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.391267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.391267 (E_RNA)
where:
Base-Base interactions energy: -63.668
where: short stacking energy: -59.792
Base-Backbone interact. energy: -0.662
local terms energy: -96.061458
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -33.570
flat angles C4'-P-C4' energy: -27.091
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -145.265302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.265302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.265302 (E_RNA)
where:
Base-Base interactions energy: -54.296
where: short stacking energy: -46.383
Base-Backbone interact. energy: -0.521
local terms energy: -90.448540
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -25.830
flat angles C4'-P-C4' energy: -28.421
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: 2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -548.401703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.401703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.401703 (E_RNA)
where:
Base-Base interactions energy: -356.636
where: short stacking energy: -172.480
Base-Backbone interact. energy: -1.131
local terms energy: -190.635497
where:
bonds (distance) C4'-P energy: -35.763
bonds (distance) P-C4' energy: -36.718
flat angles C4'-P-C4' energy: -36.878
flat angles P-C4'-P energy: -27.940
tors. eta vs tors. theta energy: -53.336
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: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -514.093160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.093160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.093160 (E_RNA)
where:
Base-Base interactions energy: -332.678
where: short stacking energy: -162.855
Base-Backbone interact. energy: -0.089
local terms energy: -181.325910
where:
bonds (distance) C4'-P energy: -31.705
bonds (distance) P-C4' energy: -26.768
flat angles C4'-P-C4' energy: -36.714
flat angles P-C4'-P energy: -31.415
tors. eta vs tors. theta energy: -54.725
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: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -464.636482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.636482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.636482 (E_RNA)
where:
Base-Base interactions energy: -304.502
where: short stacking energy: -127.660
Base-Backbone interact. energy: -0.406
local terms energy: -159.728108
where:
bonds (distance) C4'-P energy: -28.744
bonds (distance) P-C4' energy: -33.148
flat angles C4'-P-C4' energy: -29.545
flat angles P-C4'-P energy: -27.403
tors. eta vs tors. theta energy: -40.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -484.372853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.372853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.372853 (E_RNA)
where:
Base-Base interactions energy: -320.247
where: short stacking energy: -145.345
Base-Backbone interact. energy: -0.827
local terms energy: -163.298980
where:
bonds (distance) C4'-P energy: -28.697
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -35.045
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -47.714
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: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -371.576075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.576075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.576075 (E_RNA)
where:
Base-Base interactions energy: -227.628
where: short stacking energy: -102.834
Base-Backbone interact. energy: 1.038
local terms energy: -144.986174
where:
bonds (distance) C4'-P energy: -30.824
bonds (distance) P-C4' energy: -33.324
flat angles C4'-P-C4' energy: -26.168
flat angles P-C4'-P energy: -26.426
tors. eta vs tors. theta energy: -28.244
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: 110
Temperature: 1.150000
Total energy: -253.535775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.535775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.535775 (E_RNA)
where:
Base-Base interactions energy: -112.158
where: short stacking energy: -74.189
Base-Backbone interact. energy: -0.384
local terms energy: -140.993357
where:
bonds (distance) C4'-P energy: -31.141
bonds (distance) P-C4' energy: -39.433
flat angles C4'-P-C4' energy: -31.160
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -17.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -182.528293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.528293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.528293 (E_RNA)
where:
Base-Base interactions energy: -56.951
where: short stacking energy: -54.319
Base-Backbone interact. energy: 0.635
local terms energy: -126.212053
where:
bonds (distance) C4'-P energy: -25.452
bonds (distance) P-C4' energy: -31.820
flat angles C4'-P-C4' energy: -30.936
flat angles P-C4'-P energy: -25.782
tors. eta vs tors. theta energy: -12.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -192.490614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.490614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.490614 (E_RNA)
where:
Base-Base interactions energy: -61.775
where: short stacking energy: -58.200
Base-Backbone interact. energy: -0.161
local terms energy: -130.554694
where:
bonds (distance) C4'-P energy: -35.754
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -30.603
flat angles P-C4'-P energy: -20.623
tors. eta vs tors. theta energy: -16.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -156.861486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.861486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.861486 (E_RNA)
where:
Base-Base interactions energy: -62.697
where: short stacking energy: -46.795
Base-Backbone interact. energy: -0.481
local terms energy: -93.683970
where:
bonds (distance) C4'-P energy: -35.822
bonds (distance) P-C4' energy: -30.261
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -14.636
tors. eta vs tors. theta energy: 1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -149.785675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.785675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.785675 (E_RNA)
where:
Base-Base interactions energy: -49.169
where: short stacking energy: -39.796
Base-Backbone interact. energy: 1.541
local terms energy: -102.156930
where:
bonds (distance) C4'-P energy: -22.226
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -26.806
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -2.038
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: 6
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -552.538505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.538505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.538505 (E_RNA)
where:
Base-Base interactions energy: -361.045
where: short stacking energy: -179.474
Base-Backbone interact. energy: -1.248
local terms energy: -190.245273
where:
bonds (distance) C4'-P energy: -40.619
bonds (distance) P-C4' energy: -32.943
flat angles C4'-P-C4' energy: -34.158
flat angles P-C4'-P energy: -24.727
tors. eta vs tors. theta energy: -57.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -538.374917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.374917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.374917 (E_RNA)
where:
Base-Base interactions energy: -342.533
where: short stacking energy: -163.045
Base-Backbone interact. energy: -0.051
local terms energy: -195.790225
where:
bonds (distance) C4'-P energy: -35.748
bonds (distance) P-C4' energy: -37.560
flat angles C4'-P-C4' energy: -35.661
flat angles P-C4'-P energy: -28.165
tors. eta vs tors. theta energy: -58.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -468.369325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.369325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.369325 (E_RNA)
where:
Base-Base interactions energy: -298.755
where: short stacking energy: -127.864
Base-Backbone interact. energy: 0.113
local terms energy: -169.726835
where:
bonds (distance) C4'-P energy: -33.006
bonds (distance) P-C4' energy: -36.774
flat angles C4'-P-C4' energy: -33.747
flat angles P-C4'-P energy: -23.875
tors. eta vs tors. theta energy: -42.324
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: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -489.884209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.884209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.884209 (E_RNA)
where:
Base-Base interactions energy: -325.524
where: short stacking energy: -137.569
Base-Backbone interact. energy: -0.540
local terms energy: -163.820293
where:
bonds (distance) C4'-P energy: -27.324
bonds (distance) P-C4' energy: -28.346
flat angles C4'-P-C4' energy: -41.069
flat angles P-C4'-P energy: -30.626
tors. eta vs tors. theta energy: -36.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -393.091381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.091381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.091381 (E_RNA)
where:
Base-Base interactions energy: -239.746
where: short stacking energy: -115.620
Base-Backbone interact. energy: -0.410
local terms energy: -152.935689
where:
bonds (distance) C4'-P energy: -30.824
bonds (distance) P-C4' energy: -32.992
flat angles C4'-P-C4' energy: -38.346
flat angles P-C4'-P energy: -16.117
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: 6, replica: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -263.074312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.074312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.074312 (E_RNA)
where:
Base-Base interactions energy: -143.778
where: short stacking energy: -71.723
Base-Backbone interact. energy: -0.060
local terms energy: -119.236128
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -30.351
flat angles C4'-P-C4' energy: -32.563
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -183.744933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.744933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.744933 (E_RNA)
where:
Base-Base interactions energy: -59.602
where: short stacking energy: -49.680
Base-Backbone interact. energy: -1.311
local terms energy: -122.831923
where:
bonds (distance) C4'-P energy: -27.366
bonds (distance) P-C4' energy: -32.120
flat angles C4'-P-C4' energy: -35.201
flat angles P-C4'-P energy: -24.692
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: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -170.419215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.419215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.419215 (E_RNA)
where:
Base-Base interactions energy: -65.266
where: short stacking energy: -35.059
Base-Backbone interact. energy: 0.205
local terms energy: -105.358364
where:
bonds (distance) C4'-P energy: -28.631
bonds (distance) P-C4' energy: -33.097
flat angles C4'-P-C4' energy: -27.646
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: 3.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -159.078102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.078102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.078102 (E_RNA)
where:
Base-Base interactions energy: -43.505
where: short stacking energy: -31.686
Base-Backbone interact. energy: 0.240
local terms energy: -115.812562
where:
bonds (distance) C4'-P energy: -27.739
bonds (distance) P-C4' energy: -41.338
flat angles C4'-P-C4' energy: -26.828
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: 0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -169.582776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.582776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.582776 (E_RNA)
where:
Base-Base interactions energy: -63.002
where: short stacking energy: -50.971
Base-Backbone interact. energy: -0.296
local terms energy: -106.284547
where:
bonds (distance) C4'-P energy: -29.591
bonds (distance) P-C4' energy: -33.033
flat angles C4'-P-C4' energy: -23.794
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -529.046535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.046535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.046535 (E_RNA)
where:
Base-Base interactions energy: -348.199
where: short stacking energy: -167.757
Base-Backbone interact. energy: -1.135
local terms energy: -179.712744
where:
bonds (distance) C4'-P energy: -35.167
bonds (distance) P-C4' energy: -36.248
flat angles C4'-P-C4' energy: -36.009
flat angles P-C4'-P energy: -23.268
tors. eta vs tors. theta energy: -49.021
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: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -529.134455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.134455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.134455 (E_RNA)
where:
Base-Base interactions energy: -344.965
where: short stacking energy: -177.409
Base-Backbone interact. energy: 0.262
local terms energy: -184.431694
where:
bonds (distance) C4'-P energy: -32.850
bonds (distance) P-C4' energy: -29.974
flat angles C4'-P-C4' energy: -39.506
flat angles P-C4'-P energy: -25.403
tors. eta vs tors. theta energy: -56.699
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: 112
Temperature: 1.000000
Total energy: -498.337060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.337060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.337060 (E_RNA)
where:
Base-Base interactions energy: -322.285
where: short stacking energy: -137.451
Base-Backbone interact. energy: 0.789
local terms energy: -176.841434
where:
bonds (distance) C4'-P energy: -37.473
bonds (distance) P-C4' energy: -33.770
flat angles C4'-P-C4' energy: -34.655
flat angles P-C4'-P energy: -26.248
tors. eta vs tors. theta energy: -44.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -426.439152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.439152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.439152 (E_RNA)
where:
Base-Base interactions energy: -269.317
where: short stacking energy: -133.816
Base-Backbone interact. energy: -0.746
local terms energy: -156.376052
where:
bonds (distance) C4'-P energy: -25.130
bonds (distance) P-C4' energy: -37.597
flat angles C4'-P-C4' energy: -34.925
flat angles P-C4'-P energy: -20.476
tors. eta vs tors. theta energy: -38.248
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: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -372.515152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.515152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.515152 (E_RNA)
where:
Base-Base interactions energy: -228.985
where: short stacking energy: -91.944
Base-Backbone interact. energy: 2.843
local terms energy: -146.373818
where:
bonds (distance) C4'-P energy: -35.909
bonds (distance) P-C4' energy: -30.820
flat angles C4'-P-C4' energy: -30.471
flat angles P-C4'-P energy: -22.564
tors. eta vs tors. theta energy: -26.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -246.318367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.318367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.318367 (E_RNA)
where:
Base-Base interactions energy: -117.280
where: short stacking energy: -84.517
Base-Backbone interact. energy: -0.200
local terms energy: -128.839014
where:
bonds (distance) C4'-P energy: -30.252
bonds (distance) P-C4' energy: -30.638
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -16.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -178.647044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.647044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.647044 (E_RNA)
where:
Base-Base interactions energy: -52.316
where: short stacking energy: -47.477
Base-Backbone interact. energy: -0.362
local terms energy: -125.968356
where:
bonds (distance) C4'-P energy: -34.489
bonds (distance) P-C4' energy: -27.015
flat angles C4'-P-C4' energy: -29.338
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -9.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -179.447489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.447489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.447489 (E_RNA)
where:
Base-Base interactions energy: -84.722
where: short stacking energy: -53.536
Base-Backbone interact. energy: 0.920
local terms energy: -95.645283
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -30.931
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -162.860392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.860392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.860392 (E_RNA)
where:
Base-Base interactions energy: -64.477
where: short stacking energy: -36.669
Base-Backbone interact. energy: -0.731
local terms energy: -97.652601
where:
bonds (distance) C4'-P energy: -33.734
bonds (distance) P-C4' energy: -27.172
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -150.675734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.675734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.675734 (E_RNA)
where:
Base-Base interactions energy: -50.765
where: short stacking energy: -36.633
Base-Backbone interact. energy: 0.815
local terms energy: -100.725699
where:
bonds (distance) C4'-P energy: -29.547
bonds (distance) P-C4' energy: -34.577
flat angles C4'-P-C4' energy: -22.400
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -535.419147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.419147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.419147 (E_RNA)
where:
Base-Base interactions energy: -356.280
where: short stacking energy: -175.106
Base-Backbone interact. energy: -0.587
local terms energy: -178.551720
where:
bonds (distance) C4'-P energy: -33.884
bonds (distance) P-C4' energy: -32.491
flat angles C4'-P-C4' energy: -33.051
flat angles P-C4'-P energy: -26.314
tors. eta vs tors. theta energy: -52.812
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: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -532.247454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.247454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.247454 (E_RNA)
where:
Base-Base interactions energy: -338.644
where: short stacking energy: -172.115
Base-Backbone interact. energy: -0.018
local terms energy: -193.584670
where:
bonds (distance) C4'-P energy: -35.958
bonds (distance) P-C4' energy: -33.252
flat angles C4'-P-C4' energy: -40.330
flat angles P-C4'-P energy: -26.156
tors. eta vs tors. theta energy: -57.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -512.245257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.245257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.245257 (E_RNA)
where:
Base-Base interactions energy: -342.995
where: short stacking energy: -148.485
Base-Backbone interact. energy: 5.500
local terms energy: -174.749834
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -31.992
flat angles C4'-P-C4' energy: -37.990
flat angles P-C4'-P energy: -25.581
tors. eta vs tors. theta energy: -45.433
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: 4, replica: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -413.681101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.681101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.681101 (E_RNA)
where:
Base-Base interactions energy: -241.975
where: short stacking energy: -117.641
Base-Backbone interact. energy: -1.274
local terms energy: -170.432376
where:
bonds (distance) C4'-P energy: -31.654
bonds (distance) P-C4' energy: -33.224
flat angles C4'-P-C4' energy: -40.791
flat angles P-C4'-P energy: -31.037
tors. eta vs tors. theta energy: -33.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -362.851740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.851740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.851740 (E_RNA)
where:
Base-Base interactions energy: -224.437
where: short stacking energy: -98.096
Base-Backbone interact. energy: -1.134
local terms energy: -137.280349
where:
bonds (distance) C4'-P energy: -30.064
bonds (distance) P-C4' energy: -32.893
flat angles C4'-P-C4' energy: -26.293
flat angles P-C4'-P energy: -22.452
tors. eta vs tors. theta energy: -25.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -270.079420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.079420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.079420 (E_RNA)
where:
Base-Base interactions energy: -145.044
where: short stacking energy: -72.841
Base-Backbone interact. energy: -1.059
local terms energy: -123.976448
where:
bonds (distance) C4'-P energy: -28.250
bonds (distance) P-C4' energy: -28.977
flat angles C4'-P-C4' energy: -32.942
flat angles P-C4'-P energy: -20.507
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -177.450720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.450720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.450720 (E_RNA)
where:
Base-Base interactions energy: -62.348
where: short stacking energy: -41.225
Base-Backbone interact. energy: -0.326
local terms energy: -114.776236
where:
bonds (distance) C4'-P energy: -26.911
bonds (distance) P-C4' energy: -32.949
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -23.244
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: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -204.411797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.411797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.411797 (E_RNA)
where:
Base-Base interactions energy: -89.418
where: short stacking energy: -44.675
Base-Backbone interact. energy: -0.839
local terms energy: -114.155245
where:
bonds (distance) C4'-P energy: -29.227
bonds (distance) P-C4' energy: -33.233
flat angles C4'-P-C4' energy: -25.568
flat angles P-C4'-P energy: -23.962
tors. eta vs tors. theta energy: -2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -164.197432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.197432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.197432 (E_RNA)
where:
Base-Base interactions energy: -53.179
where: short stacking energy: -47.074
Base-Backbone interact. energy: -0.032
local terms energy: -110.985728
where:
bonds (distance) C4'-P energy: -29.635
bonds (distance) P-C4' energy: -29.728
flat angles C4'-P-C4' energy: -34.136
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -150.107616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.107616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.107616 (E_RNA)
where:
Base-Base interactions energy: -52.764
where: short stacking energy: -37.609
Base-Backbone interact. energy: 3.147
local terms energy: -100.490721
where:
bonds (distance) C4'-P energy: -34.157
bonds (distance) P-C4' energy: -33.807
flat angles C4'-P-C4' energy: -24.726
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: 5.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -526.464553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.464553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.464553 (E_RNA)
where:
Base-Base interactions energy: -342.329
where: short stacking energy: -156.063
Base-Backbone interact. energy: -0.663
local terms energy: -183.472409
where:
bonds (distance) C4'-P energy: -39.062
bonds (distance) P-C4' energy: -31.101
flat angles C4'-P-C4' energy: -31.086
flat angles P-C4'-P energy: -29.670
tors. eta vs tors. theta energy: -52.553
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: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -501.333590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.333590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.333590 (E_RNA)
where:
Base-Base interactions energy: -313.500
where: short stacking energy: -150.943
Base-Backbone interact. energy: -0.451
local terms energy: -187.381826
where:
bonds (distance) C4'-P energy: -34.699
bonds (distance) P-C4' energy: -34.947
flat angles C4'-P-C4' energy: -36.522
flat angles P-C4'-P energy: -26.840
tors. eta vs tors. theta energy: -54.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -509.924711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.924711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.924711 (E_RNA)
where:
Base-Base interactions energy: -331.871
where: short stacking energy: -146.589
Base-Backbone interact. energy: -0.570
local terms energy: -177.483296
where:
bonds (distance) C4'-P energy: -30.986
bonds (distance) P-C4' energy: -36.881
flat angles C4'-P-C4' energy: -37.785
flat angles P-C4'-P energy: -25.154
tors. eta vs tors. theta energy: -46.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -411.106087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.106087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.106087 (E_RNA)
where:
Base-Base interactions energy: -262.151
where: short stacking energy: -123.331
Base-Backbone interact. energy: -0.273
local terms energy: -148.681801
where:
bonds (distance) C4'-P energy: -29.355
bonds (distance) P-C4' energy: -29.909
flat angles C4'-P-C4' energy: -32.248
flat angles P-C4'-P energy: -25.803
tors. eta vs tors. theta energy: -31.367
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: 5, replica: 8
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -374.867729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.867729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.867729 (E_RNA)
where:
Base-Base interactions energy: -244.559
where: short stacking energy: -95.565
Base-Backbone interact. energy: 1.867
local terms energy: -132.175118
where:
bonds (distance) C4'-P energy: -29.850
bonds (distance) P-C4' energy: -25.868
flat angles C4'-P-C4' energy: -30.085
flat angles P-C4'-P energy: -21.799
tors. eta vs tors. theta energy: -24.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -296.943113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.943113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.943113 (E_RNA)
where:
Base-Base interactions energy: -158.074
where: short stacking energy: -77.103
Base-Backbone interact. energy: -2.264
local terms energy: -136.605271
where:
bonds (distance) C4'-P energy: -37.549
bonds (distance) P-C4' energy: -27.649
flat angles C4'-P-C4' energy: -34.641
flat angles P-C4'-P energy: -21.081
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -227.205364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.205364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.205364 (E_RNA)
where:
Base-Base interactions energy: -102.645
where: short stacking energy: -58.490
Base-Backbone interact. energy: 0.828
local terms energy: -125.388700
where:
bonds (distance) C4'-P energy: -38.751
bonds (distance) P-C4' energy: -28.915
flat angles C4'-P-C4' energy: -24.252
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -10.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -158.651620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.651620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.651620 (E_RNA)
where:
Base-Base interactions energy: -57.072
where: short stacking energy: -45.685
Base-Backbone interact. energy: -1.011
local terms energy: -100.568108
where:
bonds (distance) C4'-P energy: -27.631
bonds (distance) P-C4' energy: -27.844
flat angles C4'-P-C4' energy: -27.270
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -5.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -173.145765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.145765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.145765 (E_RNA)
where:
Base-Base interactions energy: -67.918
where: short stacking energy: -38.588
Base-Backbone interact. energy: 2.102
local terms energy: -107.330513
where:
bonds (distance) C4'-P energy: -30.522
bonds (distance) P-C4' energy: -31.280
flat angles C4'-P-C4' energy: -26.128
flat angles P-C4'-P energy: -21.460
tors. eta vs tors. theta energy: 2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -144.679116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.679116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.679116 (E_RNA)
where:
Base-Base interactions energy: -57.656
where: short stacking energy: -35.288
Base-Backbone interact. energy: 1.706
local terms energy: -88.729318
where:
bonds (distance) C4'-P energy: -28.853
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -32.128
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: 2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -527.327962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.327962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.327962 (E_RNA)
where:
Base-Base interactions energy: -348.138
where: short stacking energy: -175.555
Base-Backbone interact. energy: -0.568
local terms energy: -178.621540
where:
bonds (distance) C4'-P energy: -27.691
bonds (distance) P-C4' energy: -28.429
flat angles C4'-P-C4' energy: -42.751
flat angles P-C4'-P energy: -27.114
tors. eta vs tors. theta energy: -52.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -513.044559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.044559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.044559 (E_RNA)
where:
Base-Base interactions energy: -341.929
where: short stacking energy: -139.039
Base-Backbone interact. energy: -0.505
local terms energy: -170.609627
where:
bonds (distance) C4'-P energy: -36.098
bonds (distance) P-C4' energy: -34.777
flat angles C4'-P-C4' energy: -36.629
flat angles P-C4'-P energy: -21.656
tors. eta vs tors. theta energy: -41.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -527.011602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.011602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.011602 (E_RNA)
where:
Base-Base interactions energy: -334.748
where: short stacking energy: -161.710
Base-Backbone interact. energy: -0.094
local terms energy: -192.169716
where:
bonds (distance) C4'-P energy: -34.281
bonds (distance) P-C4' energy: -38.188
flat angles C4'-P-C4' energy: -33.238
flat angles P-C4'-P energy: -28.540
tors. eta vs tors. theta energy: -57.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -397.034078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.034078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.034078 (E_RNA)
where:
Base-Base interactions energy: -246.411
where: short stacking energy: -105.523
Base-Backbone interact. energy: -1.350
local terms energy: -149.272981
where:
bonds (distance) C4'-P energy: -36.111
bonds (distance) P-C4' energy: -35.787
flat angles C4'-P-C4' energy: -36.407
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -28.354
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: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -368.827868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.827868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.827868 (E_RNA)
where:
Base-Base interactions energy: -231.438
where: short stacking energy: -103.713
Base-Backbone interact. energy: -0.177
local terms energy: -137.212778
where:
bonds (distance) C4'-P energy: -32.754
bonds (distance) P-C4' energy: -37.348
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -22.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -270.576561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.576561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.576561 (E_RNA)
where:
Base-Base interactions energy: -135.236
where: short stacking energy: -63.492
Base-Backbone interact. energy: 1.115
local terms energy: -136.455014
where:
bonds (distance) C4'-P energy: -36.386
bonds (distance) P-C4' energy: -37.940
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -17.858
tors. eta vs tors. theta energy: -12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -208.087956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.087956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.087956 (E_RNA)
where:
Base-Base interactions energy: -85.052
where: short stacking energy: -56.989
Base-Backbone interact. energy: -0.602
local terms energy: -122.434066
where:
bonds (distance) C4'-P energy: -34.039
bonds (distance) P-C4' energy: -34.091
flat angles C4'-P-C4' energy: -30.141
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -7.861
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: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -165.524366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.524366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.524366 (E_RNA)
where:
Base-Base interactions energy: -61.827
where: short stacking energy: -48.855
Base-Backbone interact. energy: -0.768
local terms energy: -102.929318
where:
bonds (distance) C4'-P energy: -35.575
bonds (distance) P-C4' energy: -29.541
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -169.137739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.137739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.137739 (E_RNA)
where:
Base-Base interactions energy: -62.541
where: short stacking energy: -58.641
Base-Backbone interact. energy: -0.900
local terms energy: -105.695979
where:
bonds (distance) C4'-P energy: -26.373
bonds (distance) P-C4' energy: -35.898
flat angles C4'-P-C4' energy: -31.607
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: 3.623
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: 115
Temperature: 1.350000
Total energy: -150.055669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.055669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.055669 (E_RNA)
where:
Base-Base interactions energy: -50.461
where: short stacking energy: -37.819
Base-Backbone interact. energy: 2.898
local terms energy: -102.493354
where:
bonds (distance) C4'-P energy: -24.316
bonds (distance) P-C4' energy: -32.286
flat angles C4'-P-C4' energy: -34.812
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: 7.719
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: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -531.985469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.985469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.985469 (E_RNA)
where:
Base-Base interactions energy: -347.850
where: short stacking energy: -154.807
Base-Backbone interact. energy: -0.512
local terms energy: -183.622777
where:
bonds (distance) C4'-P energy: -33.766
bonds (distance) P-C4' energy: -39.432
flat angles C4'-P-C4' energy: -42.994
flat angles P-C4'-P energy: -26.815
tors. eta vs tors. theta energy: -40.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -522.219671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.219671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.219671 (E_RNA)
where:
Base-Base interactions energy: -341.991
where: short stacking energy: -157.448
Base-Backbone interact. energy: 2.804
local terms energy: -183.033287
where:
bonds (distance) C4'-P energy: -36.538
bonds (distance) P-C4' energy: -35.494
flat angles C4'-P-C4' energy: -35.469
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -52.758
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: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -517.674699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.674699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.674699 (E_RNA)
where:
Base-Base interactions energy: -343.294
where: short stacking energy: -153.739
Base-Backbone interact. energy: -0.419
local terms energy: -173.961402
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -30.020
flat angles C4'-P-C4' energy: -35.614
flat angles P-C4'-P energy: -26.255
tors. eta vs tors. theta energy: -54.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -408.100407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.100407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.100407 (E_RNA)
where:
Base-Base interactions energy: -243.549
where: short stacking energy: -106.086
Base-Backbone interact. energy: -0.954
local terms energy: -163.597389
where:
bonds (distance) C4'-P energy: -27.406
bonds (distance) P-C4' energy: -34.549
flat angles C4'-P-C4' energy: -36.333
flat angles P-C4'-P energy: -29.379
tors. eta vs tors. theta energy: -35.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -375.419540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.419540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.419540 (E_RNA)
where:
Base-Base interactions energy: -231.460
where: short stacking energy: -106.005
Base-Backbone interact. energy: -0.818
local terms energy: -143.142326
where:
bonds (distance) C4'-P energy: -25.759
bonds (distance) P-C4' energy: -28.898
flat angles C4'-P-C4' energy: -38.908
flat angles P-C4'-P energy: -17.662
tors. eta vs tors. theta energy: -31.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -286.728541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.728541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.728541 (E_RNA)
where:
Base-Base interactions energy: -147.128
where: short stacking energy: -83.510
Base-Backbone interact. energy: 0.040
local terms energy: -139.639756
where:
bonds (distance) C4'-P energy: -29.416
bonds (distance) P-C4' energy: -35.171
flat angles C4'-P-C4' energy: -32.411
flat angles P-C4'-P energy: -21.041
tors. eta vs tors. theta energy: -21.600
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: 7, replica: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -184.801966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.801966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.801966 (E_RNA)
where:
Base-Base interactions energy: -78.760
where: short stacking energy: -57.686
Base-Backbone interact. energy: -0.012
local terms energy: -106.030033
where:
bonds (distance) C4'-P energy: -23.954
bonds (distance) P-C4' energy: -38.561
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -179.904506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.904506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.904506 (E_RNA)
where:
Base-Base interactions energy: -74.749
where: short stacking energy: -49.567
Base-Backbone interact. energy: 1.640
local terms energy: -106.794940
where:
bonds (distance) C4'-P energy: -32.533
bonds (distance) P-C4' energy: -37.598
flat angles C4'-P-C4' energy: -27.828
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: 1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -156.310261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.310261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.310261 (E_RNA)
where:
Base-Base interactions energy: -49.042
where: short stacking energy: -38.539
Base-Backbone interact. energy: -0.397
local terms energy: -106.870784
where:
bonds (distance) C4'-P energy: -31.213
bonds (distance) P-C4' energy: -34.605
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -23.578
tors. eta vs tors. theta energy: 0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -189.437923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.437923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.437923 (E_RNA)
where:
Base-Base interactions energy: -94.394
where: short stacking energy: -58.174
Base-Backbone interact. energy: 1.399
local terms energy: -96.443134
where:
bonds (distance) C4'-P energy: -30.252
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: -0.026
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: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -517.926501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.926501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.926501 (E_RNA)
where:
Base-Base interactions energy: -345.996
where: short stacking energy: -150.312
Base-Backbone interact. energy: -1.556
local terms energy: -170.374576
where:
bonds (distance) C4'-P energy: -30.174
bonds (distance) P-C4' energy: -38.381
flat angles C4'-P-C4' energy: -35.649
flat angles P-C4'-P energy: -27.683
tors. eta vs tors. theta energy: -38.488
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: 117
Temperature: 0.950000
Total energy: -514.071736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.071736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.071736 (E_RNA)
where:
Base-Base interactions energy: -337.055
where: short stacking energy: -148.138
Base-Backbone interact. energy: 0.435
local terms energy: -177.451102
where:
bonds (distance) C4'-P energy: -34.696
bonds (distance) P-C4' energy: -34.371
flat angles C4'-P-C4' energy: -29.830
flat angles P-C4'-P energy: -27.754
tors. eta vs tors. theta energy: -50.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -509.664491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.664491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.664491 (E_RNA)
where:
Base-Base interactions energy: -335.312
where: short stacking energy: -154.059
Base-Backbone interact. energy: -0.910
local terms energy: -173.442007
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -34.851
flat angles C4'-P-C4' energy: -37.297
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -57.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -395.943931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.943931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.943931 (E_RNA)
where:
Base-Base interactions energy: -228.650
where: short stacking energy: -110.851
Base-Backbone interact. energy: -0.618
local terms energy: -166.675374
where:
bonds (distance) C4'-P energy: -32.395
bonds (distance) P-C4' energy: -34.287
flat angles C4'-P-C4' energy: -39.354
flat angles P-C4'-P energy: -27.587
tors. eta vs tors. theta energy: -33.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -387.036238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.036238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.036238 (E_RNA)
where:
Base-Base interactions energy: -257.033
where: short stacking energy: -101.593
Base-Backbone interact. energy: -0.913
local terms energy: -129.090548
where:
bonds (distance) C4'-P energy: -30.076
bonds (distance) P-C4' energy: -31.707
flat angles C4'-P-C4' energy: -27.250
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -25.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -282.121611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.121611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.121611 (E_RNA)
where:
Base-Base interactions energy: -158.711
where: short stacking energy: -84.193
Base-Backbone interact. energy: -0.068
local terms energy: -123.343062
where:
bonds (distance) C4'-P energy: -26.887
bonds (distance) P-C4' energy: -22.667
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -26.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -170.818747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.818747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.818747 (E_RNA)
where:
Base-Base interactions energy: -47.692
where: short stacking energy: -43.676
Base-Backbone interact. energy: 0.741
local terms energy: -123.867819
where:
bonds (distance) C4'-P energy: -35.374
bonds (distance) P-C4' energy: -31.095
flat angles C4'-P-C4' energy: -30.512
flat angles P-C4'-P energy: -24.466
tors. eta vs tors. theta energy: -2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -261.394484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.394484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.394484 (E_RNA)
where:
Base-Base interactions energy: -138.740
where: short stacking energy: -74.505
Base-Backbone interact. energy: 2.094
local terms energy: -124.748831
where:
bonds (distance) C4'-P energy: -37.214
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -35.959
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -8.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -166.649639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.649639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.649639 (E_RNA)
where:
Base-Base interactions energy: -61.268
where: short stacking energy: -46.234
Base-Backbone interact. energy: -0.487
local terms energy: -104.895121
where:
bonds (distance) C4'-P energy: -31.758
bonds (distance) P-C4' energy: -29.866
flat angles C4'-P-C4' energy: -24.350
flat angles P-C4'-P energy: -19.694
tors. eta vs tors. theta energy: 0.772
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: 117
Temperature: 1.350000
Total energy: -143.899099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.899099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.899099 (E_RNA)
where:
Base-Base interactions energy: -44.732
where: short stacking energy: -37.204
Base-Backbone interact. energy: -0.147
local terms energy: -99.019818
where:
bonds (distance) C4'-P energy: -34.188
bonds (distance) P-C4' energy: -26.939
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -19.043
tors. eta vs tors. theta energy: -1.072
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: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -547.308621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.308621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.308621 (E_RNA)
where:
Base-Base interactions energy: -358.469
where: short stacking energy: -156.348
Base-Backbone interact. energy: -0.134
local terms energy: -188.704954
where:
bonds (distance) C4'-P energy: -37.240
bonds (distance) P-C4' energy: -33.746
flat angles C4'-P-C4' energy: -37.031
flat angles P-C4'-P energy: -28.472
tors. eta vs tors. theta energy: -52.216
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: 2, replica: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -513.867787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.867787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.867787 (E_RNA)
where:
Base-Base interactions energy: -336.262
where: short stacking energy: -152.901
Base-Backbone interact. energy: -0.349
local terms energy: -177.257260
where:
bonds (distance) C4'-P energy: -31.599
bonds (distance) P-C4' energy: -36.872
flat angles C4'-P-C4' energy: -39.959
flat angles P-C4'-P energy: -29.785
tors. eta vs tors. theta energy: -39.041
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: 6
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -509.555058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.555058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.555058 (E_RNA)
where:
Base-Base interactions energy: -346.447
where: short stacking energy: -164.943
Base-Backbone interact. energy: 1.507
local terms energy: -164.615016
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -34.907
flat angles C4'-P-C4' energy: -30.516
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -49.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -401.697091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.697091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.697091 (E_RNA)
where:
Base-Base interactions energy: -238.054
where: short stacking energy: -125.157
Base-Backbone interact. energy: -0.193
local terms energy: -163.449697
where:
bonds (distance) C4'-P energy: -30.402
bonds (distance) P-C4' energy: -31.707
flat angles C4'-P-C4' energy: -37.291
flat angles P-C4'-P energy: -27.120
tors. eta vs tors. theta energy: -36.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -367.565453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.565453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.565453 (E_RNA)
where:
Base-Base interactions energy: -224.904
where: short stacking energy: -108.135
Base-Backbone interact. energy: -0.271
local terms energy: -142.390412
where:
bonds (distance) C4'-P energy: -30.605
bonds (distance) P-C4' energy: -33.504
flat angles C4'-P-C4' energy: -34.369
flat angles P-C4'-P energy: -20.941
tors. eta vs tors. theta energy: -22.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -291.499171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.499171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.499171 (E_RNA)
where:
Base-Base interactions energy: -163.123
where: short stacking energy: -82.021
Base-Backbone interact. energy: -0.796
local terms energy: -127.580615
where:
bonds (distance) C4'-P energy: -31.762
bonds (distance) P-C4' energy: -29.345
flat angles C4'-P-C4' energy: -34.634
flat angles P-C4'-P energy: -18.514
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -230.801340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.801340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.801340 (E_RNA)
where:
Base-Base interactions energy: -117.956
where: short stacking energy: -61.456
Base-Backbone interact. energy: 1.332
local terms energy: -114.177584
where:
bonds (distance) C4'-P energy: -31.453
bonds (distance) P-C4' energy: -35.062
flat angles C4'-P-C4' energy: -23.780
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -182.293243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.293243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.293243 (E_RNA)
where:
Base-Base interactions energy: -75.828
where: short stacking energy: -54.400
Base-Backbone interact. energy: -0.188
local terms energy: -106.278000
where:
bonds (distance) C4'-P energy: -28.003
bonds (distance) P-C4' energy: -30.610
flat angles C4'-P-C4' energy: -28.560
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -169.289672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.289672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.289672 (E_RNA)
where:
Base-Base interactions energy: -53.331
where: short stacking energy: -52.409
Base-Backbone interact. energy: -0.446
local terms energy: -115.512036
where:
bonds (distance) C4'-P energy: -28.568
bonds (distance) P-C4' energy: -30.697
flat angles C4'-P-C4' energy: -28.388
flat angles P-C4'-P energy: -23.114
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -158.636290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.636290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.636290 (E_RNA)
where:
Base-Base interactions energy: -61.677
where: short stacking energy: -52.579
Base-Backbone interact. energy: -0.176
local terms energy: -96.783303
where:
bonds (distance) C4'-P energy: -36.287
bonds (distance) P-C4' energy: -32.476
flat angles C4'-P-C4' energy: -24.281
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: 2.638
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: 119
Temperature: 0.900000
Total energy: -531.122792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.122792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.122792 (E_RNA)
where:
Base-Base interactions energy: -339.781
where: short stacking energy: -164.194
Base-Backbone interact. energy: -0.272
local terms energy: -191.069304
where:
bonds (distance) C4'-P energy: -35.479
bonds (distance) P-C4' energy: -36.805
flat angles C4'-P-C4' energy: -39.262
flat angles P-C4'-P energy: -26.133
tors. eta vs tors. theta energy: -53.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -511.400210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.400210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.400210 (E_RNA)
where:
Base-Base interactions energy: -332.954
where: short stacking energy: -142.212
Base-Backbone interact. energy: -0.787
local terms energy: -177.659140
where:
bonds (distance) C4'-P energy: -33.118
bonds (distance) P-C4' energy: -40.297
flat angles C4'-P-C4' energy: -33.605
flat angles P-C4'-P energy: -28.885
tors. eta vs tors. theta energy: -41.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -500.981717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.981717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.981717 (E_RNA)
where:
Base-Base interactions energy: -332.573
where: short stacking energy: -137.779
Base-Backbone interact. energy: 1.332
local terms energy: -169.740846
where:
bonds (distance) C4'-P energy: -33.477
bonds (distance) P-C4' energy: -32.850
flat angles C4'-P-C4' energy: -35.535
flat angles P-C4'-P energy: -26.626
tors. eta vs tors. theta energy: -41.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -423.147221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.147221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.147221 (E_RNA)
where:
Base-Base interactions energy: -261.967
where: short stacking energy: -128.559
Base-Backbone interact. energy: -0.179
local terms energy: -161.001889
where:
bonds (distance) C4'-P energy: -27.181
bonds (distance) P-C4' energy: -40.065
flat angles C4'-P-C4' energy: -30.115
flat angles P-C4'-P energy: -21.640
tors. eta vs tors. theta energy: -42.001
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: 8
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -390.691384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.691384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.691384 (E_RNA)
where:
Base-Base interactions energy: -233.087
where: short stacking energy: -102.826
Base-Backbone interact. energy: 0.152
local terms energy: -157.756378
where:
bonds (distance) C4'-P energy: -36.766
bonds (distance) P-C4' energy: -31.188
flat angles C4'-P-C4' energy: -36.582
flat angles P-C4'-P energy: -20.794
tors. eta vs tors. theta energy: -32.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -266.927216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.927216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.927216 (E_RNA)
where:
Base-Base interactions energy: -139.973
where: short stacking energy: -82.654
Base-Backbone interact. energy: 0.248
local terms energy: -127.201698
where:
bonds (distance) C4'-P energy: -29.665
bonds (distance) P-C4' energy: -31.378
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -251.910891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.910891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.910891 (E_RNA)
where:
Base-Base interactions energy: -124.070
where: short stacking energy: -69.812
Base-Backbone interact. energy: -1.082
local terms energy: -126.759658
where:
bonds (distance) C4'-P energy: -28.470
bonds (distance) P-C4' energy: -31.560
flat angles C4'-P-C4' energy: -36.952
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -174.229333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.229333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.229333 (E_RNA)
where:
Base-Base interactions energy: -62.212
where: short stacking energy: -32.173
Base-Backbone interact. energy: 1.212
local terms energy: -113.229905
where:
bonds (distance) C4'-P energy: -29.484
bonds (distance) P-C4' energy: -29.056
flat angles C4'-P-C4' energy: -31.753
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -148.369820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.369820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.369820 (E_RNA)
where:
Base-Base interactions energy: -46.878
where: short stacking energy: -28.951
Base-Backbone interact. energy: 0.037
local terms energy: -101.529174
where:
bonds (distance) C4'-P energy: -36.028
bonds (distance) P-C4' energy: -30.336
flat angles C4'-P-C4' energy: -28.824
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: 8.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -144.031224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.031224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.031224 (E_RNA)
where:
Base-Base interactions energy: -48.405
where: short stacking energy: -39.318
Base-Backbone interact. energy: -1.449
local terms energy: -94.178065
where:
bonds (distance) C4'-P energy: -28.947
bonds (distance) P-C4' energy: -25.397
flat angles C4'-P-C4' energy: -29.992
flat angles P-C4'-P energy: -18.340
tors. eta vs tors. theta energy: 8.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -565.026974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.026974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.026974 (E_RNA)
where:
Base-Base interactions energy: -378.094
where: short stacking energy: -156.266
Base-Backbone interact. energy: 1.847
local terms energy: -188.779697
where:
bonds (distance) C4'-P energy: -33.590
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -42.394
flat angles P-C4'-P energy: -28.920
tors. eta vs tors. theta energy: -50.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -527.720662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.720662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.720662 (E_RNA)
where:
Base-Base interactions energy: -337.361
where: short stacking energy: -160.958
Base-Backbone interact. energy: -0.105
local terms energy: -190.254331
where:
bonds (distance) C4'-P energy: -36.442
bonds (distance) P-C4' energy: -26.300
flat angles C4'-P-C4' energy: -37.562
flat angles P-C4'-P energy: -29.571
tors. eta vs tors. theta energy: -60.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -502.954688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.954688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.954688 (E_RNA)
where:
Base-Base interactions energy: -356.446
where: short stacking energy: -148.056
Base-Backbone interact. energy: -0.442
local terms energy: -146.066892
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -34.387
flat angles P-C4'-P energy: -25.321
tors. eta vs tors. theta energy: -43.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -437.305447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.305447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.305447 (E_RNA)
where:
Base-Base interactions energy: -268.119
where: short stacking energy: -128.822
Base-Backbone interact. energy: -0.084
local terms energy: -169.102422
where:
bonds (distance) C4'-P energy: -35.674
bonds (distance) P-C4' energy: -36.171
flat angles C4'-P-C4' energy: -29.377
flat angles P-C4'-P energy: -24.530
tors. eta vs tors. theta energy: -43.350
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: 8
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -399.832110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.832110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.832110 (E_RNA)
where:
Base-Base interactions energy: -249.474
where: short stacking energy: -117.427
Base-Backbone interact. energy: -0.714
local terms energy: -149.643889
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -32.163
flat angles C4'-P-C4' energy: -31.430
flat angles P-C4'-P energy: -17.981
tors. eta vs tors. theta energy: -40.244
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: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -284.479962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.479962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.479962 (E_RNA)
where:
Base-Base interactions energy: -159.190
where: short stacking energy: -82.102
Base-Backbone interact. energy: -0.044
local terms energy: -125.245789
where:
bonds (distance) C4'-P energy: -39.134
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -34.685
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -20.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -247.844137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.844137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.844137 (E_RNA)
where:
Base-Base interactions energy: -124.582
where: short stacking energy: -68.173
Base-Backbone interact. energy: -0.426
local terms energy: -122.835554
where:
bonds (distance) C4'-P energy: -31.471
bonds (distance) P-C4' energy: -28.603
flat angles C4'-P-C4' energy: -33.525
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -173.112043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.112043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.112043 (E_RNA)
where:
Base-Base interactions energy: -66.154
where: short stacking energy: -54.741
Base-Backbone interact. energy: -0.623
local terms energy: -106.334362
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -24.298
flat angles C4'-P-C4' energy: -28.167
flat angles P-C4'-P energy: -23.538
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -155.394247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.394247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.394247 (E_RNA)
where:
Base-Base interactions energy: -62.291
where: short stacking energy: -39.907
Base-Backbone interact. energy: -0.403
local terms energy: -92.700372
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -29.523
flat angles C4'-P-C4' energy: -32.000
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: 4.173
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: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -165.506679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.506679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.506679 (E_RNA)
where:
Base-Base interactions energy: -62.396
where: short stacking energy: -37.852
Base-Backbone interact. energy: -0.727
local terms energy: -102.383228
where:
bonds (distance) C4'-P energy: -32.086
bonds (distance) P-C4' energy: -32.959
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: 5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -535.796166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.796166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.796166 (E_RNA)
where:
Base-Base interactions energy: -345.142
where: short stacking energy: -143.987
Base-Backbone interact. energy: -0.952
local terms energy: -189.702398
where:
bonds (distance) C4'-P energy: -34.808
bonds (distance) P-C4' energy: -36.539
flat angles C4'-P-C4' energy: -36.801
flat angles P-C4'-P energy: -34.236
tors. eta vs tors. theta energy: -47.319
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: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -507.610179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.610179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.610179 (E_RNA)
where:
Base-Base interactions energy: -324.176
where: short stacking energy: -149.038
Base-Backbone interact. energy: -0.176
local terms energy: -183.258140
where:
bonds (distance) C4'-P energy: -27.934
bonds (distance) P-C4' energy: -37.099
flat angles C4'-P-C4' energy: -36.174
flat angles P-C4'-P energy: -31.095
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: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -504.191055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.191055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.191055 (E_RNA)
where:
Base-Base interactions energy: -335.547
where: short stacking energy: -148.227
Base-Backbone interact. energy: -0.555
local terms energy: -168.089002
where:
bonds (distance) C4'-P energy: -33.368
bonds (distance) P-C4' energy: -33.388
flat angles C4'-P-C4' energy: -34.073
flat angles P-C4'-P energy: -25.048
tors. eta vs tors. theta energy: -42.212
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: 4, replica: 8
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -420.413926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.413926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.413926 (E_RNA)
where:
Base-Base interactions energy: -265.154
where: short stacking energy: -119.417
Base-Backbone interact. energy: -0.063
local terms energy: -155.196672
where:
bonds (distance) C4'-P energy: -29.146
bonds (distance) P-C4' energy: -33.305
flat angles C4'-P-C4' energy: -34.984
flat angles P-C4'-P energy: -22.130
tors. eta vs tors. theta energy: -35.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -380.042728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.042728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.042728 (E_RNA)
where:
Base-Base interactions energy: -233.196
where: short stacking energy: -107.135
Base-Backbone interact. energy: -0.698
local terms energy: -146.148320
where:
bonds (distance) C4'-P energy: -28.853
bonds (distance) P-C4' energy: -32.689
flat angles C4'-P-C4' energy: -32.837
flat angles P-C4'-P energy: -23.558
tors. eta vs tors. theta energy: -28.210
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: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -320.099190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.099190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.099190 (E_RNA)
where:
Base-Base interactions energy: -178.605
where: short stacking energy: -90.360
Base-Backbone interact. energy: -0.930
local terms energy: -140.563863
where:
bonds (distance) C4'-P energy: -30.368
bonds (distance) P-C4' energy: -36.057
flat angles C4'-P-C4' energy: -30.360
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -25.843
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: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -270.031379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.031379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.031379 (E_RNA)
where:
Base-Base interactions energy: -165.568
where: short stacking energy: -66.599
Base-Backbone interact. energy: -0.043
local terms energy: -104.420694
where:
bonds (distance) C4'-P energy: -26.357
bonds (distance) P-C4' energy: -30.083
flat angles C4'-P-C4' energy: -27.478
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -5.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -188.930326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.930326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.930326 (E_RNA)
where:
Base-Base interactions energy: -86.178
where: short stacking energy: -53.023
Base-Backbone interact. energy: -1.010
local terms energy: -101.742333
where:
bonds (distance) C4'-P energy: -28.265
bonds (distance) P-C4' energy: -37.344
flat angles C4'-P-C4' energy: -34.039
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: 8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -173.332505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.332505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.332505 (E_RNA)
where:
Base-Base interactions energy: -53.682
where: short stacking energy: -25.095
Base-Backbone interact. energy: -0.429
local terms energy: -119.220931
where:
bonds (distance) C4'-P energy: -33.213
bonds (distance) P-C4' energy: -37.573
flat angles C4'-P-C4' energy: -24.808
flat angles P-C4'-P energy: -26.084
tors. eta vs tors. theta energy: 2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -167.546896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.546896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.546896 (E_RNA)
where:
Base-Base interactions energy: -85.855
where: short stacking energy: -50.164
Base-Backbone interact. energy: 9.013
local terms energy: -90.705073
where:
bonds (distance) C4'-P energy: -31.039
bonds (distance) P-C4' energy: -32.126
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -529.753938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.753938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.753938 (E_RNA)
where:
Base-Base interactions energy: -357.236
where: short stacking energy: -146.251
Base-Backbone interact. energy: -0.228
local terms energy: -172.290005
where:
bonds (distance) C4'-P energy: -32.667
bonds (distance) P-C4' energy: -34.520
flat angles C4'-P-C4' energy: -39.944
flat angles P-C4'-P energy: -22.298
tors. eta vs tors. theta energy: -42.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -518.373893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.373893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.373893 (E_RNA)
where:
Base-Base interactions energy: -342.883
where: short stacking energy: -162.846
Base-Backbone interact. energy: -0.157
local terms energy: -175.334079
where:
bonds (distance) C4'-P energy: -31.014
bonds (distance) P-C4' energy: -30.683
flat angles C4'-P-C4' energy: -39.767
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -53.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -462.756830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.756830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.756830 (E_RNA)
where:
Base-Base interactions energy: -307.021
where: short stacking energy: -135.784
Base-Backbone interact. energy: 1.131
local terms energy: -156.866648
where:
bonds (distance) C4'-P energy: -31.534
bonds (distance) P-C4' energy: -31.052
flat angles C4'-P-C4' energy: -35.011
flat angles P-C4'-P energy: -24.500
tors. eta vs tors. theta energy: -34.770
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: 4, replica: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -410.138331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.138331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.138331 (E_RNA)
where:
Base-Base interactions energy: -255.758
where: short stacking energy: -115.567
Base-Backbone interact. energy: -0.203
local terms energy: -154.177500
where:
bonds (distance) C4'-P energy: -28.209
bonds (distance) P-C4' energy: -34.072
flat angles C4'-P-C4' energy: -34.479
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -35.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -403.414036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.414036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.414036 (E_RNA)
where:
Base-Base interactions energy: -254.821
where: short stacking energy: -109.996
Base-Backbone interact. energy: -0.581
local terms energy: -148.012908
where:
bonds (distance) C4'-P energy: -27.898
bonds (distance) P-C4' energy: -34.650
flat angles C4'-P-C4' energy: -34.942
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -26.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -317.537888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.537888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.537888 (E_RNA)
where:
Base-Base interactions energy: -170.985
where: short stacking energy: -83.336
Base-Backbone interact. energy: -0.789
local terms energy: -145.763479
where:
bonds (distance) C4'-P energy: -39.757
bonds (distance) P-C4' energy: -28.304
flat angles C4'-P-C4' energy: -37.604
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -21.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -278.048315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.048315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.048315 (E_RNA)
where:
Base-Base interactions energy: -167.164
where: short stacking energy: -78.254
Base-Backbone interact. energy: 0.716
local terms energy: -111.600215
where:
bonds (distance) C4'-P energy: -30.299
bonds (distance) P-C4' energy: -29.181
flat angles C4'-P-C4' energy: -29.970
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -11.003
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: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -183.785337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.785337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.785337 (E_RNA)
where:
Base-Base interactions energy: -90.503
where: short stacking energy: -58.911
Base-Backbone interact. energy: 1.376
local terms energy: -94.658128
where:
bonds (distance) C4'-P energy: -25.682
bonds (distance) P-C4' energy: -28.928
flat angles C4'-P-C4' energy: -31.390
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -176.355982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.355982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.355982 (E_RNA)
where:
Base-Base interactions energy: -60.471
where: short stacking energy: -33.939
Base-Backbone interact. energy: 1.017
local terms energy: -116.901682
where:
bonds (distance) C4'-P energy: -33.133
bonds (distance) P-C4' energy: -31.736
flat angles C4'-P-C4' energy: -33.688
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: 2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -144.100947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.100947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.100947 (E_RNA)
where:
Base-Base interactions energy: -55.258
where: short stacking energy: -43.568
Base-Backbone interact. energy: -0.657
local terms energy: -88.186386
where:
bonds (distance) C4'-P energy: -27.112
bonds (distance) P-C4' energy: -36.724
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: 6.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -537.642627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.642627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.642627 (E_RNA)
where:
Base-Base interactions energy: -344.562
where: short stacking energy: -153.212
Base-Backbone interact. energy: -0.128
local terms energy: -192.952462
where:
bonds (distance) C4'-P energy: -39.100
bonds (distance) P-C4' energy: -37.971
flat angles C4'-P-C4' energy: -37.532
flat angles P-C4'-P energy: -28.701
tors. eta vs tors. theta energy: -49.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -513.399345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.399345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.399345 (E_RNA)
where:
Base-Base interactions energy: -322.774
where: short stacking energy: -163.365
Base-Backbone interact. energy: 0.175
local terms energy: -190.800260
where:
bonds (distance) C4'-P energy: -38.947
bonds (distance) P-C4' energy: -32.559
flat angles C4'-P-C4' energy: -39.204
flat angles P-C4'-P energy: -25.104
tors. eta vs tors. theta energy: -54.986
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: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -484.311087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.311087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.311087 (E_RNA)
where:
Base-Base interactions energy: -320.811
where: short stacking energy: -138.008
Base-Backbone interact. energy: -0.297
local terms energy: -163.202670
where:
bonds (distance) C4'-P energy: -27.967
bonds (distance) P-C4' energy: -29.329
flat angles C4'-P-C4' energy: -31.221
flat angles P-C4'-P energy: -32.334
tors. eta vs tors. theta energy: -42.351
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: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -380.016925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.016925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.016925 (E_RNA)
where:
Base-Base interactions energy: -234.692
where: short stacking energy: -108.890
Base-Backbone interact. energy: -0.686
local terms energy: -144.638755
where:
bonds (distance) C4'-P energy: -22.330
bonds (distance) P-C4' energy: -34.572
flat angles C4'-P-C4' energy: -34.948
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -28.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -378.723541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.723541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.723541 (E_RNA)
where:
Base-Base interactions energy: -228.095
where: short stacking energy: -127.235
Base-Backbone interact. energy: -0.193
local terms energy: -150.435372
where:
bonds (distance) C4'-P energy: -30.544
bonds (distance) P-C4' energy: -32.415
flat angles C4'-P-C4' energy: -36.040
flat angles P-C4'-P energy: -20.165
tors. eta vs tors. theta energy: -31.271
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: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -264.763357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.763357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.763357 (E_RNA)
where:
Base-Base interactions energy: -140.033
where: short stacking energy: -67.829
Base-Backbone interact. energy: -0.537
local terms energy: -124.193430
where:
bonds (distance) C4'-P energy: -33.262
bonds (distance) P-C4' energy: -36.586
flat angles C4'-P-C4' energy: -29.800
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -6.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -277.315651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.315651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.315651 (E_RNA)
where:
Base-Base interactions energy: -150.960
where: short stacking energy: -68.225
Base-Backbone interact. energy: -1.062
local terms energy: -125.293792
where:
bonds (distance) C4'-P energy: -37.510
bonds (distance) P-C4' energy: -38.240
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -21.911
tors. eta vs tors. theta energy: -6.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -172.498239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.498239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.498239 (E_RNA)
where:
Base-Base interactions energy: -61.432
where: short stacking energy: -51.752
Base-Backbone interact. energy: -0.556
local terms energy: -110.509495
where:
bonds (distance) C4'-P energy: -30.588
bonds (distance) P-C4' energy: -36.268
flat angles C4'-P-C4' energy: -32.376
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: 5.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -160.181765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.181765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.181765 (E_RNA)
where:
Base-Base interactions energy: -67.882
where: short stacking energy: -53.388
Base-Backbone interact. energy: 0.129
local terms energy: -92.428768
where:
bonds (distance) C4'-P energy: -27.776
bonds (distance) P-C4' energy: -31.623
flat angles C4'-P-C4' energy: -25.109
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -148.495959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.495959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.495959 (E_RNA)
where:
Base-Base interactions energy: -43.982
where: short stacking energy: -31.826
Base-Backbone interact. energy: 0.224
local terms energy: -104.737402
where:
bonds (distance) C4'-P energy: -35.191
bonds (distance) P-C4' energy: -33.805
flat angles C4'-P-C4' energy: -32.408
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: 3.673
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: 124
Temperature: 0.900000
Total energy: -552.817520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.817520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.817520 (E_RNA)
where:
Base-Base interactions energy: -354.301
where: short stacking energy: -179.140
Base-Backbone interact. energy: 0.069
local terms energy: -198.585879
where:
bonds (distance) C4'-P energy: -39.138
bonds (distance) P-C4' energy: -32.878
flat angles C4'-P-C4' energy: -35.238
flat angles P-C4'-P energy: -31.362
tors. eta vs tors. theta energy: -59.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -513.820707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.820707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.820707 (E_RNA)
where:
Base-Base interactions energy: -333.055
where: short stacking energy: -162.272
Base-Backbone interact. energy: -0.607
local terms energy: -180.159462
where:
bonds (distance) C4'-P energy: -32.508
bonds (distance) P-C4' energy: -38.172
flat angles C4'-P-C4' energy: -38.874
flat angles P-C4'-P energy: -20.110
tors. eta vs tors. theta energy: -50.495
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: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -482.245072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.245072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.245072 (E_RNA)
where:
Base-Base interactions energy: -309.957
where: short stacking energy: -134.363
Base-Backbone interact. energy: -0.890
local terms energy: -171.397975
where:
bonds (distance) C4'-P energy: -35.234
bonds (distance) P-C4' energy: -38.110
flat angles C4'-P-C4' energy: -31.909
flat angles P-C4'-P energy: -30.194
tors. eta vs tors. theta energy: -35.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -399.825316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.825316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.825316 (E_RNA)
where:
Base-Base interactions energy: -245.621
where: short stacking energy: -118.783
Base-Backbone interact. energy: 0.761
local terms energy: -154.965533
where:
bonds (distance) C4'-P energy: -32.375
bonds (distance) P-C4' energy: -28.480
flat angles C4'-P-C4' energy: -34.590
flat angles P-C4'-P energy: -20.790
tors. eta vs tors. theta energy: -38.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -355.935551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.935551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.935551 (E_RNA)
where:
Base-Base interactions energy: -205.807
where: short stacking energy: -97.209
Base-Backbone interact. energy: 0.006
local terms energy: -150.134947
where:
bonds (distance) C4'-P energy: -37.618
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -38.285
flat angles P-C4'-P energy: -19.657
tors. eta vs tors. theta energy: -28.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -274.585681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.585681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.585681 (E_RNA)
where:
Base-Base interactions energy: -139.469
where: short stacking energy: -73.457
Base-Backbone interact. energy: 0.047
local terms energy: -135.163330
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -38.308
flat angles C4'-P-C4' energy: -33.171
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -14.930
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: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -318.449148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.449148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.449148 (E_RNA)
where:
Base-Base interactions energy: -202.631
where: short stacking energy: -70.006
Base-Backbone interact. energy: -1.229
local terms energy: -114.588955
where:
bonds (distance) C4'-P energy: -31.296
bonds (distance) P-C4' energy: -32.381
flat angles C4'-P-C4' energy: -29.521
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -9.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -157.257294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.257294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.257294 (E_RNA)
where:
Base-Base interactions energy: -51.016
where: short stacking energy: -51.243
Base-Backbone interact. energy: 2.454
local terms energy: -108.695295
where:
bonds (distance) C4'-P energy: -34.079
bonds (distance) P-C4' energy: -34.738
flat angles C4'-P-C4' energy: -23.417
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -157.459642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.459642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.459642 (E_RNA)
where:
Base-Base interactions energy: -56.354
where: short stacking energy: -39.567
Base-Backbone interact. energy: 2.061
local terms energy: -103.166756
where:
bonds (distance) C4'-P energy: -31.701
bonds (distance) P-C4' energy: -28.209
flat angles C4'-P-C4' energy: -28.628
flat angles P-C4'-P energy: -20.595
tors. eta vs tors. theta energy: 5.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -138.275359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.275359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.275359 (E_RNA)
where:
Base-Base interactions energy: -42.379
where: short stacking energy: -24.748
Base-Backbone interact. energy: 0.196
local terms energy: -96.092533
where:
bonds (distance) C4'-P energy: -26.839
bonds (distance) P-C4' energy: -33.004
flat angles C4'-P-C4' energy: -30.327
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: 12.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -530.160150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.160150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.160150 (E_RNA)
where:
Base-Base interactions energy: -346.947
where: short stacking energy: -168.891
Base-Backbone interact. energy: -0.012
local terms energy: -183.201170
where:
bonds (distance) C4'-P energy: -34.036
bonds (distance) P-C4' energy: -30.728
flat angles C4'-P-C4' energy: -38.662
flat angles P-C4'-P energy: -27.383
tors. eta vs tors. theta energy: -52.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -512.627381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.627381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.627381 (E_RNA)
where:
Base-Base interactions energy: -329.826
where: short stacking energy: -158.050
Base-Backbone interact. energy: 2.637
local terms energy: -185.438891
where:
bonds (distance) C4'-P energy: -30.873
bonds (distance) P-C4' energy: -37.127
flat angles C4'-P-C4' energy: -37.809
flat angles P-C4'-P energy: -28.773
tors. eta vs tors. theta energy: -50.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -489.986135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.986135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.986135 (E_RNA)
where:
Base-Base interactions energy: -321.575
where: short stacking energy: -137.196
Base-Backbone interact. energy: -0.622
local terms energy: -167.788332
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -43.171
flat angles C4'-P-C4' energy: -37.285
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -37.279
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: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -391.939300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.939300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.939300 (E_RNA)
where:
Base-Base interactions energy: -248.176
where: short stacking energy: -115.618
Base-Backbone interact. energy: -0.225
local terms energy: -143.538120
where:
bonds (distance) C4'-P energy: -31.948
bonds (distance) P-C4' energy: -33.828
flat angles C4'-P-C4' energy: -21.745
flat angles P-C4'-P energy: -24.036
tors. eta vs tors. theta energy: -31.982
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: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -363.923655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.923655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.923655 (E_RNA)
where:
Base-Base interactions energy: -213.158
where: short stacking energy: -93.581
Base-Backbone interact. energy: -0.591
local terms energy: -150.175027
where:
bonds (distance) C4'-P energy: -33.210
bonds (distance) P-C4' energy: -35.205
flat angles C4'-P-C4' energy: -33.399
flat angles P-C4'-P energy: -26.450
tors. eta vs tors. theta energy: -21.911
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: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -358.676251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.676251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.676251 (E_RNA)
where:
Base-Base interactions energy: -227.274
where: short stacking energy: -97.117
Base-Backbone interact. energy: -0.346
local terms energy: -131.056700
where:
bonds (distance) C4'-P energy: -31.263
bonds (distance) P-C4' energy: -30.325
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -21.264
tors. eta vs tors. theta energy: -22.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -254.552167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.552167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.552167 (E_RNA)
where:
Base-Base interactions energy: -129.471
where: short stacking energy: -65.536
Base-Backbone interact. energy: -0.463
local terms energy: -124.618766
where:
bonds (distance) C4'-P energy: -25.898
bonds (distance) P-C4' energy: -33.403
flat angles C4'-P-C4' energy: -31.681
flat angles P-C4'-P energy: -21.871
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -161.533505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.533505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.533505 (E_RNA)
where:
Base-Base interactions energy: -49.433
where: short stacking energy: -42.963
Base-Backbone interact. energy: -0.992
local terms energy: -111.107892
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -35.285
flat angles C4'-P-C4' energy: -25.480
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -1.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -157.534664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.534664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.534664 (E_RNA)
where:
Base-Base interactions energy: -59.554
where: short stacking energy: -42.029
Base-Backbone interact. energy: -0.385
local terms energy: -97.596376
where:
bonds (distance) C4'-P energy: -30.559
bonds (distance) P-C4' energy: -28.051
flat angles C4'-P-C4' energy: -26.878
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: 7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -163.243774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.243774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.243774 (E_RNA)
where:
Base-Base interactions energy: -68.960
where: short stacking energy: -41.808
Base-Backbone interact. energy: -0.744
local terms energy: -93.539773
where:
bonds (distance) C4'-P energy: -33.303
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -27.478
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: 2.192
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: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -534.253231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.253231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.253231 (E_RNA)
where:
Base-Base interactions energy: -342.727
where: short stacking energy: -167.813
Base-Backbone interact. energy: 1.840
local terms energy: -193.366432
where:
bonds (distance) C4'-P energy: -32.057
bonds (distance) P-C4' energy: -37.620
flat angles C4'-P-C4' energy: -35.772
flat angles P-C4'-P energy: -28.401
tors. eta vs tors. theta energy: -59.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -517.813639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.813639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.813639 (E_RNA)
where:
Base-Base interactions energy: -342.913
where: short stacking energy: -154.670
Base-Backbone interact. energy: 0.246
local terms energy: -175.146434
where:
bonds (distance) C4'-P energy: -38.849
bonds (distance) P-C4' energy: -30.338
flat angles C4'-P-C4' energy: -34.043
flat angles P-C4'-P energy: -23.334
tors. eta vs tors. theta energy: -48.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -482.863325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.863325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.863325 (E_RNA)
where:
Base-Base interactions energy: -314.186
where: short stacking energy: -133.967
Base-Backbone interact. energy: -0.833
local terms energy: -167.843838
where:
bonds (distance) C4'-P energy: -32.084
bonds (distance) P-C4' energy: -38.837
flat angles C4'-P-C4' energy: -38.119
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -34.301
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: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -369.320354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.320354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.320354 (E_RNA)
where:
Base-Base interactions energy: -216.569
where: short stacking energy: -98.416
Base-Backbone interact. energy: -0.544
local terms energy: -152.207294
where:
bonds (distance) C4'-P energy: -29.975
bonds (distance) P-C4' energy: -39.661
flat angles C4'-P-C4' energy: -31.850
flat angles P-C4'-P energy: -25.986
tors. eta vs tors. theta energy: -24.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -396.135478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.135478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.135478 (E_RNA)
where:
Base-Base interactions energy: -248.287
where: short stacking energy: -101.613
Base-Backbone interact. energy: 0.679
local terms energy: -148.527355
where:
bonds (distance) C4'-P energy: -27.861
bonds (distance) P-C4' energy: -34.141
flat angles C4'-P-C4' energy: -35.950
flat angles P-C4'-P energy: -19.231
tors. eta vs tors. theta energy: -31.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -336.040552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.040552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.040552 (E_RNA)
where:
Base-Base interactions energy: -195.818
where: short stacking energy: -92.114
Base-Backbone interact. energy: -0.291
local terms energy: -139.931858
where:
bonds (distance) C4'-P energy: -29.544
bonds (distance) P-C4' energy: -31.366
flat angles C4'-P-C4' energy: -33.760
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -27.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -268.962241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.962241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.962241 (E_RNA)
where:
Base-Base interactions energy: -145.157
where: short stacking energy: -79.530
Base-Backbone interact. energy: 0.562
local terms energy: -124.366773
where:
bonds (distance) C4'-P energy: -29.041
bonds (distance) P-C4' energy: -26.740
flat angles C4'-P-C4' energy: -29.914
flat angles P-C4'-P energy: -22.072
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -171.324261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.324261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.324261 (E_RNA)
where:
Base-Base interactions energy: -67.408
where: short stacking energy: -51.317
Base-Backbone interact. energy: -0.534
local terms energy: -103.382882
where:
bonds (distance) C4'-P energy: -29.966
bonds (distance) P-C4' energy: -28.367
flat angles C4'-P-C4' energy: -34.054
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: 3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -160.224755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.224755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.224755 (E_RNA)
where:
Base-Base interactions energy: -56.172
where: short stacking energy: -41.659
Base-Backbone interact. energy: -0.401
local terms energy: -103.652107
where:
bonds (distance) C4'-P energy: -30.002
bonds (distance) P-C4' energy: -30.105
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -148.086128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.086128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.086128 (E_RNA)
where:
Base-Base interactions energy: -49.775
where: short stacking energy: -47.601
Base-Backbone interact. energy: 5.716
local terms energy: -104.027804
where:
bonds (distance) C4'-P energy: -24.917
bonds (distance) P-C4' energy: -34.774
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -0.128
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: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -540.034566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.034566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.034566 (E_RNA)
where:
Base-Base interactions energy: -344.656
where: short stacking energy: -176.625
Base-Backbone interact. energy: -0.011
local terms energy: -195.367275
where:
bonds (distance) C4'-P energy: -38.501
bonds (distance) P-C4' energy: -34.923
flat angles C4'-P-C4' energy: -33.238
flat angles P-C4'-P energy: -27.829
tors. eta vs tors. theta energy: -60.876
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: 2, replica: 6
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -520.443918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.443918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.443918 (E_RNA)
where:
Base-Base interactions energy: -345.675
where: short stacking energy: -159.654
Base-Backbone interact. energy: -0.017
local terms energy: -174.751422
where:
bonds (distance) C4'-P energy: -36.066
bonds (distance) P-C4' energy: -30.266
flat angles C4'-P-C4' energy: -34.801
flat angles P-C4'-P energy: -20.882
tors. eta vs tors. theta energy: -52.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -493.281297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.281297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.281297 (E_RNA)
where:
Base-Base interactions energy: -324.814
where: short stacking energy: -150.145
Base-Backbone interact. energy: -0.063
local terms energy: -168.404991
where:
bonds (distance) C4'-P energy: -35.812
bonds (distance) P-C4' energy: -29.771
flat angles C4'-P-C4' energy: -36.790
flat angles P-C4'-P energy: -24.112
tors. eta vs tors. theta energy: -41.920
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: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -406.082847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.082847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.082847 (E_RNA)
where:
Base-Base interactions energy: -264.459
where: short stacking energy: -126.907
Base-Backbone interact. energy: -0.903
local terms energy: -140.720640
where:
bonds (distance) C4'-P energy: -34.315
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -34.970
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -29.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -349.133352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.133352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.133352 (E_RNA)
where:
Base-Base interactions energy: -209.585
where: short stacking energy: -96.573
Base-Backbone interact. energy: -0.274
local terms energy: -139.274602
where:
bonds (distance) C4'-P energy: -34.590
bonds (distance) P-C4' energy: -30.349
flat angles C4'-P-C4' energy: -28.700
flat angles P-C4'-P energy: -23.433
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -351.330758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.330758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.330758 (E_RNA)
where:
Base-Base interactions energy: -206.485
where: short stacking energy: -108.032
Base-Backbone interact. energy: -0.114
local terms energy: -144.731836
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -35.420
flat angles C4'-P-C4' energy: -35.761
flat angles P-C4'-P energy: -17.426
tors. eta vs tors. theta energy: -34.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -238.428311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.428311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.428311 (E_RNA)
where:
Base-Base interactions energy: -113.760
where: short stacking energy: -58.928
Base-Backbone interact. energy: 2.086
local terms energy: -126.754672
where:
bonds (distance) C4'-P energy: -35.966
bonds (distance) P-C4' energy: -36.726
flat angles C4'-P-C4' energy: -30.228
flat angles P-C4'-P energy: -25.259
tors. eta vs tors. theta energy: 1.424
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: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -175.448215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.448215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.448215 (E_RNA)
where:
Base-Base interactions energy: -76.070
where: short stacking energy: -60.745
Base-Backbone interact. energy: 1.322
local terms energy: -100.700077
where:
bonds (distance) C4'-P energy: -23.208
bonds (distance) P-C4' energy: -33.857
flat angles C4'-P-C4' energy: -30.355
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: 4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -169.191474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.191474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.191474 (E_RNA)
where:
Base-Base interactions energy: -53.037
where: short stacking energy: -51.371
Base-Backbone interact. energy: -0.412
local terms energy: -115.743032
where:
bonds (distance) C4'-P energy: -28.825
bonds (distance) P-C4' energy: -36.224
flat angles C4'-P-C4' energy: -25.454
flat angles P-C4'-P energy: -24.766
tors. eta vs tors. theta energy: -0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -144.541400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.541400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.541400 (E_RNA)
where:
Base-Base interactions energy: -51.652
where: short stacking energy: -50.368
Base-Backbone interact. energy: 4.098
local terms energy: -96.986750
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -26.872
flat angles C4'-P-C4' energy: -27.030
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -536.569729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.569729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.569729 (E_RNA)
where:
Base-Base interactions energy: -344.611
where: short stacking energy: -171.749
Base-Backbone interact. energy: 0.394
local terms energy: -192.352405
where:
bonds (distance) C4'-P energy: -29.084
bonds (distance) P-C4' energy: -35.789
flat angles C4'-P-C4' energy: -39.938
flat angles P-C4'-P energy: -29.271
tors. eta vs tors. theta energy: -58.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -511.786009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.786009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.786009 (E_RNA)
where:
Base-Base interactions energy: -330.502
where: short stacking energy: -155.539
Base-Backbone interact. energy: -0.903
local terms energy: -180.380471
where:
bonds (distance) C4'-P energy: -33.188
bonds (distance) P-C4' energy: -32.314
flat angles C4'-P-C4' energy: -37.071
flat angles P-C4'-P energy: -22.866
tors. eta vs tors. theta energy: -54.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -485.924530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.924530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.924530 (E_RNA)
where:
Base-Base interactions energy: -304.665
where: short stacking energy: -140.358
Base-Backbone interact. energy: -0.433
local terms energy: -180.827033
where:
bonds (distance) C4'-P energy: -40.679
bonds (distance) P-C4' energy: -37.709
flat angles C4'-P-C4' energy: -33.653
flat angles P-C4'-P energy: -29.221
tors. eta vs tors. theta energy: -39.566
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: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -410.104775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.104775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.104775 (E_RNA)
where:
Base-Base interactions energy: -258.131
where: short stacking energy: -116.850
Base-Backbone interact. energy: -1.469
local terms energy: -150.504744
where:
bonds (distance) C4'-P energy: -36.952
bonds (distance) P-C4' energy: -29.342
flat angles C4'-P-C4' energy: -31.942
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: -29.845
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: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -422.788646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.788646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.788646 (E_RNA)
where:
Base-Base interactions energy: -273.975
where: short stacking energy: -108.663
Base-Backbone interact. energy: 0.109
local terms energy: -148.922885
where:
bonds (distance) C4'-P energy: -25.860
bonds (distance) P-C4' energy: -27.223
flat angles C4'-P-C4' energy: -36.481
flat angles P-C4'-P energy: -21.705
tors. eta vs tors. theta energy: -37.654
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: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -343.885634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.885634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.885634 (E_RNA)
where:
Base-Base interactions energy: -200.104
where: short stacking energy: -85.375
Base-Backbone interact. energy: -0.355
local terms energy: -143.425909
where:
bonds (distance) C4'-P energy: -33.855
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -35.967
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -18.728
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: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -171.275024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.275024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.275024 (E_RNA)
where:
Base-Base interactions energy: -75.551
where: short stacking energy: -61.674
Base-Backbone interact. energy: -1.119
local terms energy: -94.604935
where:
bonds (distance) C4'-P energy: -30.783
bonds (distance) P-C4' energy: -31.234
flat angles C4'-P-C4' energy: -26.795
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: 0.822
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: 8, replica: 5
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -252.931440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.931440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.931440 (E_RNA)
where:
Base-Base interactions energy: -126.872
where: short stacking energy: -58.457
Base-Backbone interact. energy: 1.248
local terms energy: -127.307871
where:
bonds (distance) C4'-P energy: -33.036
bonds (distance) P-C4' energy: -36.581
flat angles C4'-P-C4' energy: -28.918
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -10.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -160.554168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.554168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.554168 (E_RNA)
where:
Base-Base interactions energy: -67.618
where: short stacking energy: -34.361
Base-Backbone interact. energy: -0.318
local terms energy: -92.617725
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -33.990
flat angles C4'-P-C4' energy: -30.468
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: 6.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -160.597208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.597208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.597208 (E_RNA)
where:
Base-Base interactions energy: -43.928
where: short stacking energy: -39.309
Base-Backbone interact. energy: -0.591
local terms energy: -116.077962
where:
bonds (distance) C4'-P energy: -40.101
bonds (distance) P-C4' energy: -33.452
flat angles C4'-P-C4' energy: -33.371
flat angles P-C4'-P energy: -18.440
tors. eta vs tors. theta energy: 9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -542.677264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.677264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.677264 (E_RNA)
where:
Base-Base interactions energy: -341.233
where: short stacking energy: -173.078
Base-Backbone interact. energy: -0.007
local terms energy: -201.437402
where:
bonds (distance) C4'-P energy: -33.845
bonds (distance) P-C4' energy: -34.072
flat angles C4'-P-C4' energy: -41.989
flat angles P-C4'-P energy: -25.049
tors. eta vs tors. theta energy: -66.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -515.895295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.895295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.895295 (E_RNA)
where:
Base-Base interactions energy: -336.688
where: short stacking energy: -154.482
Base-Backbone interact. energy: -0.950
local terms energy: -178.257371
where:
bonds (distance) C4'-P energy: -28.800
bonds (distance) P-C4' energy: -34.378
flat angles C4'-P-C4' energy: -41.390
flat angles P-C4'-P energy: -25.408
tors. eta vs tors. theta energy: -48.281
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: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -494.756953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.756953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.756953 (E_RNA)
where:
Base-Base interactions energy: -321.356
where: short stacking energy: -139.886
Base-Backbone interact. energy: 0.683
local terms energy: -174.083557
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -37.867
flat angles C4'-P-C4' energy: -39.189
flat angles P-C4'-P energy: -28.153
tors. eta vs tors. theta energy: -45.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -451.230406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.230406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.230406 (E_RNA)
where:
Base-Base interactions energy: -284.979
where: short stacking energy: -125.851
Base-Backbone interact. energy: -0.107
local terms energy: -166.145243
where:
bonds (distance) C4'-P energy: -34.364
bonds (distance) P-C4' energy: -36.841
flat angles C4'-P-C4' energy: -27.344
flat angles P-C4'-P energy: -25.757
tors. eta vs tors. theta energy: -41.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -399.284077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.284077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.284077 (E_RNA)
where:
Base-Base interactions energy: -259.675
where: short stacking energy: -119.675
Base-Backbone interact. energy: 0.459
local terms energy: -140.068540
where:
bonds (distance) C4'-P energy: -30.142
bonds (distance) P-C4' energy: -31.634
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -17.681
tors. eta vs tors. theta energy: -35.776
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: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -347.011630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.011630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.011630 (E_RNA)
where:
Base-Base interactions energy: -214.977
where: short stacking energy: -82.098
Base-Backbone interact. energy: -0.186
local terms energy: -131.848888
where:
bonds (distance) C4'-P energy: -28.639
bonds (distance) P-C4' energy: -25.908
flat angles C4'-P-C4' energy: -30.608
flat angles P-C4'-P energy: -29.623
tors. eta vs tors. theta energy: -17.071
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: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -188.170464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.170464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.170464 (E_RNA)
where:
Base-Base interactions energy: -55.405
where: short stacking energy: -51.365
Base-Backbone interact. energy: -0.368
local terms energy: -132.398044
where:
bonds (distance) C4'-P energy: -33.201
bonds (distance) P-C4' energy: -40.297
flat angles C4'-P-C4' energy: -26.439
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -251.529600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.529600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.529600 (E_RNA)
where:
Base-Base interactions energy: -131.105
where: short stacking energy: -72.650
Base-Backbone interact. energy: -0.176
local terms energy: -120.248883
where:
bonds (distance) C4'-P energy: -27.662
bonds (distance) P-C4' energy: -23.485
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -26.700
tors. eta vs tors. theta energy: -15.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -169.878363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.878363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.878363 (E_RNA)
where:
Base-Base interactions energy: -54.623
where: short stacking energy: -30.973
Base-Backbone interact. energy: -1.099
local terms energy: -114.156279
where:
bonds (distance) C4'-P energy: -32.984
bonds (distance) P-C4' energy: -36.699
flat angles C4'-P-C4' energy: -30.828
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: 1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -154.468153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.468153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.468153 (E_RNA)
where:
Base-Base interactions energy: -47.341
where: short stacking energy: -42.924
Base-Backbone interact. energy: -0.848
local terms energy: -106.278927
where:
bonds (distance) C4'-P energy: -29.178
bonds (distance) P-C4' energy: -30.520
flat angles C4'-P-C4' energy: -29.136
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: 0.176
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: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -530.251666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.251666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.251666 (E_RNA)
where:
Base-Base interactions energy: -343.627
where: short stacking energy: -169.656
Base-Backbone interact. energy: -1.094
local terms energy: -185.529844
where:
bonds (distance) C4'-P energy: -35.561
bonds (distance) P-C4' energy: -33.281
flat angles C4'-P-C4' energy: -37.340
flat angles P-C4'-P energy: -27.826
tors. eta vs tors. theta energy: -51.522
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: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -531.939921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.939921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.939921 (E_RNA)
where:
Base-Base interactions energy: -349.494
where: short stacking energy: -166.742
Base-Backbone interact. energy: -0.015
local terms energy: -182.430841
where:
bonds (distance) C4'-P energy: -28.692
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -40.245
flat angles P-C4'-P energy: -23.762
tors. eta vs tors. theta energy: -56.973
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: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -487.063154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.063154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.063154 (E_RNA)
where:
Base-Base interactions energy: -319.556
where: short stacking energy: -137.579
Base-Backbone interact. energy: 1.010
local terms energy: -168.517125
where:
bonds (distance) C4'-P energy: -35.379
bonds (distance) P-C4' energy: -31.540
flat angles C4'-P-C4' energy: -39.177
flat angles P-C4'-P energy: -23.938
tors. eta vs tors. theta energy: -38.483
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: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -423.669044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.669044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.669044 (E_RNA)
where:
Base-Base interactions energy: -267.153
where: short stacking energy: -118.787
Base-Backbone interact. energy: -0.021
local terms energy: -156.495093
where:
bonds (distance) C4'-P energy: -33.376
bonds (distance) P-C4' energy: -33.049
flat angles C4'-P-C4' energy: -33.992
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -33.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -392.172717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.172717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.172717 (E_RNA)
where:
Base-Base interactions energy: -247.062
where: short stacking energy: -107.611
Base-Backbone interact. energy: -0.625
local terms energy: -144.485833
where:
bonds (distance) C4'-P energy: -27.555
bonds (distance) P-C4' energy: -26.127
flat angles C4'-P-C4' energy: -35.725
flat angles P-C4'-P energy: -23.329
tors. eta vs tors. theta energy: -31.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -371.338555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.338555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.338555 (E_RNA)
where:
Base-Base interactions energy: -229.759
where: short stacking energy: -98.612
Base-Backbone interact. energy: 0.489
local terms energy: -142.068190
where:
bonds (distance) C4'-P energy: -38.115
bonds (distance) P-C4' energy: -36.527
flat angles C4'-P-C4' energy: -35.563
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -25.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -287.583693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.583693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.583693 (E_RNA)
where:
Base-Base interactions energy: -156.895
where: short stacking energy: -65.057
Base-Backbone interact. energy: -0.369
local terms energy: -130.319687
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -34.944
flat angles C4'-P-C4' energy: -36.252
flat angles P-C4'-P energy: -25.049
tors. eta vs tors. theta energy: -12.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -162.593694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.593694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.593694 (E_RNA)
where:
Base-Base interactions energy: -61.929
where: short stacking energy: -58.377
Base-Backbone interact. energy: 1.380
local terms energy: -102.044088
where:
bonds (distance) C4'-P energy: -32.170
bonds (distance) P-C4' energy: -26.974
flat angles C4'-P-C4' energy: -29.995
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: 4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -157.077662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.077662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.077662 (E_RNA)
where:
Base-Base interactions energy: -54.626
where: short stacking energy: -51.002
Base-Backbone interact. energy: 1.442
local terms energy: -103.893291
where:
bonds (distance) C4'-P energy: -22.706
bonds (distance) P-C4' energy: -28.776
flat angles C4'-P-C4' energy: -29.123
flat angles P-C4'-P energy: -21.934
tors. eta vs tors. theta energy: -1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -132.072686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.072686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.072686 (E_RNA)
where:
Base-Base interactions energy: -33.264
where: short stacking energy: -30.813
Base-Backbone interact. energy: -2.236
local terms energy: -96.572794
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -26.782
flat angles C4'-P-C4' energy: -28.017
flat angles P-C4'-P energy: -21.413
tors. eta vs tors. theta energy: 8.249
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: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -524.044309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.044309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.044309 (E_RNA)
where:
Base-Base interactions energy: -333.546
where: short stacking energy: -162.452
Base-Backbone interact. energy: 0.066
local terms energy: -190.564426
where:
bonds (distance) C4'-P energy: -35.989
bonds (distance) P-C4' energy: -38.250
flat angles C4'-P-C4' energy: -40.550
flat angles P-C4'-P energy: -23.174
tors. eta vs tors. theta energy: -52.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -526.771740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.771740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.771740 (E_RNA)
where:
Base-Base interactions energy: -327.805
where: short stacking energy: -167.475
Base-Backbone interact. energy: -0.014
local terms energy: -198.952878
where:
bonds (distance) C4'-P energy: -36.791
bonds (distance) P-C4' energy: -33.820
flat angles C4'-P-C4' energy: -41.382
flat angles P-C4'-P energy: -28.115
tors. eta vs tors. theta energy: -58.845
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: 131
Temperature: 1.000000
Total energy: -469.494976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.494976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.494976 (E_RNA)
where:
Base-Base interactions energy: -310.353
where: short stacking energy: -127.248
Base-Backbone interact. energy: 1.721
local terms energy: -160.862573
where:
bonds (distance) C4'-P energy: -29.865
bonds (distance) P-C4' energy: -38.369
flat angles C4'-P-C4' energy: -35.797
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -41.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -428.382335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.382335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.382335 (E_RNA)
where:
Base-Base interactions energy: -264.254
where: short stacking energy: -125.676
Base-Backbone interact. energy: 1.268
local terms energy: -165.395874
where:
bonds (distance) C4'-P energy: -31.783
bonds (distance) P-C4' energy: -36.729
flat angles C4'-P-C4' energy: -32.056
flat angles P-C4'-P energy: -28.456
tors. eta vs tors. theta energy: -36.372
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: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -337.947019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.947019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.947019 (E_RNA)
where:
Base-Base interactions energy: -198.722
where: short stacking energy: -88.565
Base-Backbone interact. energy: -0.581
local terms energy: -138.644282
where:
bonds (distance) C4'-P energy: -31.194
bonds (distance) P-C4' energy: -32.133
flat angles C4'-P-C4' energy: -33.715
flat angles P-C4'-P energy: -21.168
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -365.594619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.594619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.594619 (E_RNA)
where:
Base-Base interactions energy: -238.710
where: short stacking energy: -89.893
Base-Backbone interact. energy: -0.596
local terms energy: -126.287808
where:
bonds (distance) C4'-P energy: -28.203
bonds (distance) P-C4' energy: -37.886
flat angles C4'-P-C4' energy: -28.865
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -17.172
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: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -278.003016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.003016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.003016 (E_RNA)
where:
Base-Base interactions energy: -133.002
where: short stacking energy: -86.403
Base-Backbone interact. energy: -0.431
local terms energy: -144.569804
where:
bonds (distance) C4'-P energy: -34.425
bonds (distance) P-C4' energy: -33.529
flat angles C4'-P-C4' energy: -30.206
flat angles P-C4'-P energy: -20.013
tors. eta vs tors. theta energy: -26.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -250.544240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.544240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.544240 (E_RNA)
where:
Base-Base interactions energy: -124.708
where: short stacking energy: -57.206
Base-Backbone interact. energy: 0.513
local terms energy: -126.349424
where:
bonds (distance) C4'-P energy: -35.118
bonds (distance) P-C4' energy: -29.783
flat angles C4'-P-C4' energy: -26.073
flat angles P-C4'-P energy: -20.091
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -154.560763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.560763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.560763 (E_RNA)
where:
Base-Base interactions energy: -59.671
where: short stacking energy: -22.093
Base-Backbone interact. energy: -1.199
local terms energy: -93.690658
where:
bonds (distance) C4'-P energy: -28.077
bonds (distance) P-C4' energy: -34.109
flat angles C4'-P-C4' energy: -28.859
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: 12.602
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: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -157.028512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.028512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.028512 (E_RNA)
where:
Base-Base interactions energy: -62.037
where: short stacking energy: -41.234
Base-Backbone interact. energy: -0.321
local terms energy: -94.670947
where:
bonds (distance) C4'-P energy: -26.962
bonds (distance) P-C4' energy: -30.908
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -538.655439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.655439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.655439 (E_RNA)
where:
Base-Base interactions energy: -339.346
where: short stacking energy: -162.131
Base-Backbone interact. energy: -0.068
local terms energy: -199.241733
where:
bonds (distance) C4'-P energy: -39.146
bonds (distance) P-C4' energy: -38.293
flat angles C4'-P-C4' energy: -38.062
flat angles P-C4'-P energy: -27.260
tors. eta vs tors. theta energy: -56.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -509.207834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.207834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.207834 (E_RNA)
where:
Base-Base interactions energy: -338.251
where: short stacking energy: -145.051
Base-Backbone interact. energy: -0.812
local terms energy: -170.145609
where:
bonds (distance) C4'-P energy: -33.664
bonds (distance) P-C4' energy: -39.414
flat angles C4'-P-C4' energy: -32.536
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -48.076
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: 132
Temperature: 1.000000
Total energy: -484.740300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.740300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.740300 (E_RNA)
where:
Base-Base interactions energy: -321.614
where: short stacking energy: -140.437
Base-Backbone interact. energy: -0.282
local terms energy: -162.844353
where:
bonds (distance) C4'-P energy: -29.192
bonds (distance) P-C4' energy: -32.147
flat angles C4'-P-C4' energy: -38.968
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: -39.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -439.195733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.195733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.195733 (E_RNA)
where:
Base-Base interactions energy: -286.315
where: short stacking energy: -129.644
Base-Backbone interact. energy: -1.704
local terms energy: -151.177153
where:
bonds (distance) C4'-P energy: -23.420
bonds (distance) P-C4' energy: -27.532
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -22.138
tors. eta vs tors. theta energy: -44.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -388.678340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.678340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.678340 (E_RNA)
where:
Base-Base interactions energy: -255.173
where: short stacking energy: -97.890
Base-Backbone interact. energy: 0.875
local terms energy: -134.380496
where:
bonds (distance) C4'-P energy: -29.385
bonds (distance) P-C4' energy: -38.048
flat angles C4'-P-C4' energy: -30.081
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: -18.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -350.329847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.329847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.329847 (E_RNA)
where:
Base-Base interactions energy: -214.155
where: short stacking energy: -99.206
Base-Backbone interact. energy: -0.179
local terms energy: -135.995634
where:
bonds (distance) C4'-P energy: -27.300
bonds (distance) P-C4' energy: -28.774
flat angles C4'-P-C4' energy: -28.621
flat angles P-C4'-P energy: -22.199
tors. eta vs tors. theta energy: -29.102
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: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -276.766104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.766104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.766104 (E_RNA)
where:
Base-Base interactions energy: -134.648
where: short stacking energy: -83.022
Base-Backbone interact. energy: -0.459
local terms energy: -141.658835
where:
bonds (distance) C4'-P energy: -36.310
bonds (distance) P-C4' energy: -30.683
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -20.720
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -193.322662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.322662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.322662 (E_RNA)
where:
Base-Base interactions energy: -73.365
where: short stacking energy: -50.667
Base-Backbone interact. energy: -0.830
local terms energy: -119.128362
where:
bonds (distance) C4'-P energy: -28.479
bonds (distance) P-C4' energy: -34.752
flat angles C4'-P-C4' energy: -28.348
flat angles P-C4'-P energy: -22.863
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -195.589549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.589549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.589549 (E_RNA)
where:
Base-Base interactions energy: -81.534
where: short stacking energy: -43.231
Base-Backbone interact. energy: -0.211
local terms energy: -113.844499
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -39.337
flat angles C4'-P-C4' energy: -33.847
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -0.924
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: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -156.910353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.910353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.910353 (E_RNA)
where:
Base-Base interactions energy: -45.999
where: short stacking energy: -36.937
Base-Backbone interact. energy: -1.547
local terms energy: -109.363831
where:
bonds (distance) C4'-P energy: -34.852
bonds (distance) P-C4' energy: -32.694
flat angles C4'-P-C4' energy: -27.188
flat angles P-C4'-P energy: -16.880
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: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -544.849836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.849836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.849836 (E_RNA)
where:
Base-Base interactions energy: -356.039
where: short stacking energy: -170.255
Base-Backbone interact. energy: -0.030
local terms energy: -188.781149
where:
bonds (distance) C4'-P energy: -29.995
bonds (distance) P-C4' energy: -34.036
flat angles C4'-P-C4' energy: -40.977
flat angles P-C4'-P energy: -25.928
tors. eta vs tors. theta energy: -57.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -502.083498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.083498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.083498 (E_RNA)
where:
Base-Base interactions energy: -335.903
where: short stacking energy: -154.340
Base-Backbone interact. energy: 3.241
local terms energy: -169.421159
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -30.429
flat angles C4'-P-C4' energy: -39.544
flat angles P-C4'-P energy: -27.924
tors. eta vs tors. theta energy: -49.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -441.852233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.852233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.852233 (E_RNA)
where:
Base-Base interactions energy: -287.965
where: short stacking energy: -130.527
Base-Backbone interact. energy: 0.106
local terms energy: -153.993212
where:
bonds (distance) C4'-P energy: -33.401
bonds (distance) P-C4' energy: -33.592
flat angles C4'-P-C4' energy: -36.515
flat angles P-C4'-P energy: -24.600
tors. eta vs tors. theta energy: -25.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -414.468236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.468236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.468236 (E_RNA)
where:
Base-Base interactions energy: -258.604
where: short stacking energy: -131.907
Base-Backbone interact. energy: 0.416
local terms energy: -156.280069
where:
bonds (distance) C4'-P energy: -29.773
bonds (distance) P-C4' energy: -36.463
flat angles C4'-P-C4' energy: -35.226
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -33.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -349.573263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.573263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.573263 (E_RNA)
where:
Base-Base interactions energy: -218.418
where: short stacking energy: -106.063
Base-Backbone interact. energy: -2.617
local terms energy: -128.538171
where:
bonds (distance) C4'-P energy: -26.364
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -29.480
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -26.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -346.244331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.244331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.244331 (E_RNA)
where:
Base-Base interactions energy: -207.490
where: short stacking energy: -85.961
Base-Backbone interact. energy: -1.095
local terms energy: -137.659757
where:
bonds (distance) C4'-P energy: -27.941
bonds (distance) P-C4' energy: -32.101
flat angles C4'-P-C4' energy: -36.354
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -18.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -236.533213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.533213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.533213 (E_RNA)
where:
Base-Base interactions energy: -109.719
where: short stacking energy: -73.442
Base-Backbone interact. energy: -0.958
local terms energy: -125.856615
where:
bonds (distance) C4'-P energy: -35.945
bonds (distance) P-C4' energy: -30.803
flat angles C4'-P-C4' energy: -26.344
flat angles P-C4'-P energy: -19.546
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -171.144519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.144519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.144519 (E_RNA)
where:
Base-Base interactions energy: -59.847
where: short stacking energy: -55.010
Base-Backbone interact. energy: -1.391
local terms energy: -109.906518
where:
bonds (distance) C4'-P energy: -27.209
bonds (distance) P-C4' energy: -29.983
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -20.782
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -173.343361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.343361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.343361 (E_RNA)
where:
Base-Base interactions energy: -67.879
where: short stacking energy: -45.638
Base-Backbone interact. energy: -0.317
local terms energy: -105.147104
where:
bonds (distance) C4'-P energy: -33.352
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -15.014
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: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -143.283680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.283680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.283680 (E_RNA)
where:
Base-Base interactions energy: -41.982
where: short stacking energy: -20.970
Base-Backbone interact. energy: -0.396
local terms energy: -100.906599
where:
bonds (distance) C4'-P energy: -33.789
bonds (distance) P-C4' energy: -30.914
flat angles C4'-P-C4' energy: -26.316
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: 5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -554.127957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.127957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.127957 (E_RNA)
where:
Base-Base interactions energy: -365.515
where: short stacking energy: -175.571
Base-Backbone interact. energy: -0.509
local terms energy: -188.104020
where:
bonds (distance) C4'-P energy: -36.123
bonds (distance) P-C4' energy: -31.838
flat angles C4'-P-C4' energy: -35.236
flat angles P-C4'-P energy: -25.830
tors. eta vs tors. theta energy: -59.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -526.994180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.994180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.994180 (E_RNA)
where:
Base-Base interactions energy: -337.791
where: short stacking energy: -160.650
Base-Backbone interact. energy: 0.604
local terms energy: -189.806811
where:
bonds (distance) C4'-P energy: -34.257
bonds (distance) P-C4' energy: -34.664
flat angles C4'-P-C4' energy: -39.898
flat angles P-C4'-P energy: -27.152
tors. eta vs tors. theta energy: -53.835
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: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -442.882859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.882859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.882859 (E_RNA)
where:
Base-Base interactions energy: -285.771
where: short stacking energy: -126.659
Base-Backbone interact. energy: 0.092
local terms energy: -157.204006
where:
bonds (distance) C4'-P energy: -33.500
bonds (distance) P-C4' energy: -30.374
flat angles C4'-P-C4' energy: -37.021
flat angles P-C4'-P energy: -24.470
tors. eta vs tors. theta energy: -31.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -429.798145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.798145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.798145 (E_RNA)
where:
Base-Base interactions energy: -275.837
where: short stacking energy: -131.812
Base-Backbone interact. energy: 1.540
local terms energy: -155.501407
where:
bonds (distance) C4'-P energy: -35.561
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -33.534
flat angles P-C4'-P energy: -26.267
tors. eta vs tors. theta energy: -34.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -373.069085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.069085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.069085 (E_RNA)
where:
Base-Base interactions energy: -220.130
where: short stacking energy: -122.986
Base-Backbone interact. energy: -0.760
local terms energy: -152.179703
where:
bonds (distance) C4'-P energy: -24.657
bonds (distance) P-C4' energy: -36.271
flat angles C4'-P-C4' energy: -39.437
flat angles P-C4'-P energy: -22.775
tors. eta vs tors. theta energy: -29.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -311.326486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.326486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.326486 (E_RNA)
where:
Base-Base interactions energy: -175.917
where: short stacking energy: -68.723
Base-Backbone interact. energy: -0.706
local terms energy: -134.703766
where:
bonds (distance) C4'-P energy: -38.102
bonds (distance) P-C4' energy: -30.128
flat angles C4'-P-C4' energy: -26.422
flat angles P-C4'-P energy: -24.780
tors. eta vs tors. theta energy: -15.271
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: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -214.345859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.345859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.345859 (E_RNA)
where:
Base-Base interactions energy: -86.395
where: short stacking energy: -56.473
Base-Backbone interact. energy: -0.416
local terms energy: -127.535053
where:
bonds (distance) C4'-P energy: -27.852
bonds (distance) P-C4' energy: -36.827
flat angles C4'-P-C4' energy: -30.402
flat angles P-C4'-P energy: -25.763
tors. eta vs tors. theta energy: -6.691
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: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -165.860067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.860067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.860067 (E_RNA)
where:
Base-Base interactions energy: -73.860
where: short stacking energy: -23.463
Base-Backbone interact. energy: -2.042
local terms energy: -89.958342
where:
bonds (distance) C4'-P energy: -31.365
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -18.038
tors. eta vs tors. theta energy: 9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -151.845693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.845693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.845693 (E_RNA)
where:
Base-Base interactions energy: -53.010
where: short stacking energy: -46.675
Base-Backbone interact. energy: -0.622
local terms energy: -98.214484
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -36.048
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -158.051574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.051574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.051574 (E_RNA)
where:
Base-Base interactions energy: -54.847
where: short stacking energy: -31.568
Base-Backbone interact. energy: -0.920
local terms energy: -102.284367
where:
bonds (distance) C4'-P energy: -27.060
bonds (distance) P-C4' energy: -32.433
flat angles C4'-P-C4' energy: -28.887
flat angles P-C4'-P energy: -19.404
tors. eta vs tors. theta energy: 5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -546.118900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.118900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.118900 (E_RNA)
where:
Base-Base interactions energy: -346.102
where: short stacking energy: -172.312
Base-Backbone interact. energy: -0.251
local terms energy: -199.765496
where:
bonds (distance) C4'-P energy: -33.908
bonds (distance) P-C4' energy: -38.065
flat angles C4'-P-C4' energy: -37.516
flat angles P-C4'-P energy: -27.995
tors. eta vs tors. theta energy: -62.281
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: 6
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -501.468774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.468774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.468774 (E_RNA)
where:
Base-Base interactions energy: -332.787
where: short stacking energy: -144.967
Base-Backbone interact. energy: 0.783
local terms energy: -169.464911
where:
bonds (distance) C4'-P energy: -34.104
bonds (distance) P-C4' energy: -29.742
flat angles C4'-P-C4' energy: -31.820
flat angles P-C4'-P energy: -27.413
tors. eta vs tors. theta energy: -46.385
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: 3, replica: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -472.293587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.293587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.293587 (E_RNA)
where:
Base-Base interactions energy: -309.618
where: short stacking energy: -135.579
Base-Backbone interact. energy: -1.167
local terms energy: -161.508611
where:
bonds (distance) C4'-P energy: -36.272
bonds (distance) P-C4' energy: -28.072
flat angles C4'-P-C4' energy: -37.385
flat angles P-C4'-P energy: -26.880
tors. eta vs tors. theta energy: -32.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -429.142978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.142978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.142978 (E_RNA)
where:
Base-Base interactions energy: -267.812
where: short stacking energy: -131.035
Base-Backbone interact. energy: -0.398
local terms energy: -160.933027
where:
bonds (distance) C4'-P energy: -28.336
bonds (distance) P-C4' energy: -33.028
flat angles C4'-P-C4' energy: -40.125
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: -36.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -370.487980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.487980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.487980 (E_RNA)
where:
Base-Base interactions energy: -220.643
where: short stacking energy: -111.833
Base-Backbone interact. energy: -0.137
local terms energy: -149.707776
where:
bonds (distance) C4'-P energy: -34.060
bonds (distance) P-C4' energy: -32.889
flat angles C4'-P-C4' energy: -33.024
flat angles P-C4'-P energy: -18.654
tors. eta vs tors. theta energy: -31.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -275.336962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.336962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.336962 (E_RNA)
where:
Base-Base interactions energy: -148.303
where: short stacking energy: -61.899
Base-Backbone interact. energy: -0.715
local terms energy: -126.319174
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -34.369
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -20.373
tors. eta vs tors. theta energy: -17.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -170.224665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.224665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.224665 (E_RNA)
where:
Base-Base interactions energy: -71.418
where: short stacking energy: -53.149
Base-Backbone interact. energy: 1.079
local terms energy: -99.886284
where:
bonds (distance) C4'-P energy: -27.929
bonds (distance) P-C4' energy: -35.321
flat angles C4'-P-C4' energy: -24.096
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -159.585174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.585174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.585174 (E_RNA)
where:
Base-Base interactions energy: -57.701
where: short stacking energy: -35.857
Base-Backbone interact. energy: -1.414
local terms energy: -100.470968
where:
bonds (distance) C4'-P energy: -26.811
bonds (distance) P-C4' energy: -28.225
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -28.460
tors. eta vs tors. theta energy: 6.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -159.811719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.811719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.811719 (E_RNA)
where:
Base-Base interactions energy: -42.306
where: short stacking energy: -37.303
Base-Backbone interact. energy: -0.529
local terms energy: -116.976548
where:
bonds (distance) C4'-P energy: -31.945
bonds (distance) P-C4' energy: -38.804
flat angles C4'-P-C4' energy: -29.777
flat angles P-C4'-P energy: -22.871
tors. eta vs tors. theta energy: 6.421
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: 2
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -162.657856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.657856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.657856 (E_RNA)
where:
Base-Base interactions energy: -59.427
where: short stacking energy: -42.940
Base-Backbone interact. energy: -0.405
local terms energy: -102.825836
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -34.753
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -22.146
tors. eta vs tors. theta energy: -2.892
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: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -522.535783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.535783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.535783 (E_RNA)
where:
Base-Base interactions energy: -334.126
where: short stacking energy: -164.517
Base-Backbone interact. energy: -0.097
local terms energy: -188.312434
where:
bonds (distance) C4'-P energy: -35.394
bonds (distance) P-C4' energy: -29.809
flat angles C4'-P-C4' energy: -40.493
flat angles P-C4'-P energy: -27.116
tors. eta vs tors. theta energy: -55.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -501.920349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.920349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.920349 (E_RNA)
where:
Base-Base interactions energy: -323.448
where: short stacking energy: -157.871
Base-Backbone interact. energy: -0.707
local terms energy: -177.765486
where:
bonds (distance) C4'-P energy: -26.469
bonds (distance) P-C4' energy: -38.415
flat angles C4'-P-C4' energy: -38.466
flat angles P-C4'-P energy: -28.017
tors. eta vs tors. theta energy: -46.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -482.805973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.805973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.805973 (E_RNA)
where:
Base-Base interactions energy: -329.018
where: short stacking energy: -144.391
Base-Backbone interact. energy: -0.572
local terms energy: -153.216132
where:
bonds (distance) C4'-P energy: -24.262
bonds (distance) P-C4' energy: -27.627
flat angles C4'-P-C4' energy: -32.250
flat angles P-C4'-P energy: -29.979
tors. eta vs tors. theta energy: -39.097
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: 4, replica: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -419.292311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.292311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.292311 (E_RNA)
where:
Base-Base interactions energy: -266.837
where: short stacking energy: -117.448
Base-Backbone interact. energy: -0.575
local terms energy: -151.880120
where:
bonds (distance) C4'-P energy: -34.448
bonds (distance) P-C4' energy: -27.991
flat angles C4'-P-C4' energy: -32.891
flat angles P-C4'-P energy: -22.050
tors. eta vs tors. theta energy: -34.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -371.127381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.127381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.127381 (E_RNA)
where:
Base-Base interactions energy: -228.274
where: short stacking energy: -105.135
Base-Backbone interact. energy: -0.444
local terms energy: -142.408884
where:
bonds (distance) C4'-P energy: -36.450
bonds (distance) P-C4' energy: -33.990
flat angles C4'-P-C4' energy: -33.283
flat angles P-C4'-P energy: -18.501
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -265.805778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.805778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.805778 (E_RNA)
where:
Base-Base interactions energy: -138.410
where: short stacking energy: -73.723
Base-Backbone interact. energy: 0.509
local terms energy: -127.904609
where:
bonds (distance) C4'-P energy: -36.082
bonds (distance) P-C4' energy: -35.564
flat angles C4'-P-C4' energy: -32.023
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -176.694042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.694042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.694042 (E_RNA)
where:
Base-Base interactions energy: -61.870
where: short stacking energy: -55.707
Base-Backbone interact. energy: -0.826
local terms energy: -113.998162
where:
bonds (distance) C4'-P energy: -34.731
bonds (distance) P-C4' energy: -30.971
flat angles C4'-P-C4' energy: -25.244
flat angles P-C4'-P energy: -18.392
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -173.588285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.588285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.588285 (E_RNA)
where:
Base-Base interactions energy: -56.383
where: short stacking energy: -51.766
Base-Backbone interact. energy: -0.531
local terms energy: -116.673903
where:
bonds (distance) C4'-P energy: -34.573
bonds (distance) P-C4' energy: -28.687
flat angles C4'-P-C4' energy: -25.724
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -158.999438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.999438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.999438 (E_RNA)
where:
Base-Base interactions energy: -62.832
where: short stacking energy: -17.655
Base-Backbone interact. energy: 1.271
local terms energy: -97.437813
where:
bonds (distance) C4'-P energy: -30.323
bonds (distance) P-C4' energy: -28.477
flat angles C4'-P-C4' energy: -27.255
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: 8.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -181.346404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.346404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.346404 (E_RNA)
where:
Base-Base interactions energy: -88.860
where: short stacking energy: -51.554
Base-Backbone interact. energy: 0.006
local terms energy: -92.492574
where:
bonds (distance) C4'-P energy: -31.229
bonds (distance) P-C4' energy: -29.457
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -13.638
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: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -530.778861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.778861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.778861 (E_RNA)
where:
Base-Base interactions energy: -339.934
where: short stacking energy: -169.102
Base-Backbone interact. energy: -0.013
local terms energy: -190.831825
where:
bonds (distance) C4'-P energy: -35.295
bonds (distance) P-C4' energy: -31.896
flat angles C4'-P-C4' energy: -37.906
flat angles P-C4'-P energy: -25.860
tors. eta vs tors. theta energy: -59.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -525.863338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.863338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.863338 (E_RNA)
where:
Base-Base interactions energy: -346.874
where: short stacking energy: -153.087
Base-Backbone interact. energy: -0.665
local terms energy: -178.324203
where:
bonds (distance) C4'-P energy: -38.181
bonds (distance) P-C4' energy: -37.784
flat angles C4'-P-C4' energy: -40.981
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -43.564
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: 6
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -500.459852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.459852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.459852 (E_RNA)
where:
Base-Base interactions energy: -317.825
where: short stacking energy: -136.176
Base-Backbone interact. energy: -0.665
local terms energy: -181.969650
where:
bonds (distance) C4'-P energy: -31.549
bonds (distance) P-C4' energy: -37.061
flat angles C4'-P-C4' energy: -33.645
flat angles P-C4'-P energy: -26.605
tors. eta vs tors. theta energy: -53.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -436.488571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.488571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.488571 (E_RNA)
where:
Base-Base interactions energy: -278.058
where: short stacking energy: -127.023
Base-Backbone interact. energy: -0.968
local terms energy: -157.462719
where:
bonds (distance) C4'-P energy: -30.845
bonds (distance) P-C4' energy: -33.653
flat angles C4'-P-C4' energy: -31.687
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: -37.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -359.396507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.396507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.396507 (E_RNA)
where:
Base-Base interactions energy: -215.135
where: short stacking energy: -96.444
Base-Backbone interact. energy: -0.019
local terms energy: -144.242864
where:
bonds (distance) C4'-P energy: -29.758
bonds (distance) P-C4' energy: -36.016
flat angles C4'-P-C4' energy: -32.381
flat angles P-C4'-P energy: -23.219
tors. eta vs tors. theta energy: -22.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -299.573746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.573746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.573746 (E_RNA)
where:
Base-Base interactions energy: -172.629
where: short stacking energy: -86.613
Base-Backbone interact. energy: -0.396
local terms energy: -126.549305
where:
bonds (distance) C4'-P energy: -29.321
bonds (distance) P-C4' energy: -25.990
flat angles C4'-P-C4' energy: -30.182
flat angles P-C4'-P energy: -21.931
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -175.991001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.991001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.991001 (E_RNA)
where:
Base-Base interactions energy: -60.161
where: short stacking energy: -60.161
Base-Backbone interact. energy: 1.201
local terms energy: -117.031097
where:
bonds (distance) C4'-P energy: -26.986
bonds (distance) P-C4' energy: -44.261
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -191.944260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.944260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.944260 (E_RNA)
where:
Base-Base interactions energy: -86.913
where: short stacking energy: -44.911
Base-Backbone interact. energy: -0.594
local terms energy: -104.437593
where:
bonds (distance) C4'-P energy: -30.282
bonds (distance) P-C4' energy: -33.472
flat angles C4'-P-C4' energy: -27.005
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: 5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -148.686623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.686623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.686623 (E_RNA)
where:
Base-Base interactions energy: -57.109
where: short stacking energy: -35.125
Base-Backbone interact. energy: 1.471
local terms energy: -93.048197
where:
bonds (distance) C4'-P energy: -30.784
bonds (distance) P-C4' energy: -31.577
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -1.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -148.145556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.145556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.145556 (E_RNA)
where:
Base-Base interactions energy: -43.791
where: short stacking energy: -42.614
Base-Backbone interact. energy: 0.567
local terms energy: -104.921390
where:
bonds (distance) C4'-P energy: -37.854
bonds (distance) P-C4' energy: -32.398
flat angles C4'-P-C4' energy: -26.124
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: 1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -537.630818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.630818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.630818 (E_RNA)
where:
Base-Base interactions energy: -362.477
where: short stacking energy: -148.926
Base-Backbone interact. energy: -0.604
local terms energy: -174.550163
where:
bonds (distance) C4'-P energy: -33.794
bonds (distance) P-C4' energy: -27.648
flat angles C4'-P-C4' energy: -39.950
flat angles P-C4'-P energy: -24.882
tors. eta vs tors. theta energy: -48.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -536.742658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.742658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.742658 (E_RNA)
where:
Base-Base interactions energy: -343.390
where: short stacking energy: -168.005
Base-Backbone interact. energy: -0.852
local terms energy: -192.500516
where:
bonds (distance) C4'-P energy: -30.720
bonds (distance) P-C4' energy: -37.520
flat angles C4'-P-C4' energy: -41.075
flat angles P-C4'-P energy: -24.974
tors. eta vs tors. theta energy: -58.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -496.167475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.167475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.167475 (E_RNA)
where:
Base-Base interactions energy: -325.717
where: short stacking energy: -148.389
Base-Backbone interact. energy: -0.599
local terms energy: -169.851614
where:
bonds (distance) C4'-P energy: -35.873
bonds (distance) P-C4' energy: -28.548
flat angles C4'-P-C4' energy: -34.429
flat angles P-C4'-P energy: -25.979
tors. eta vs tors. theta energy: -45.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -435.865834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.865834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.865834 (E_RNA)
where:
Base-Base interactions energy: -284.899
where: short stacking energy: -129.183
Base-Backbone interact. energy: -0.134
local terms energy: -150.832447
where:
bonds (distance) C4'-P energy: -27.207
bonds (distance) P-C4' energy: -39.100
flat angles C4'-P-C4' energy: -29.170
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: -39.639
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: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -388.824432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.824432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.824432 (E_RNA)
where:
Base-Base interactions energy: -229.894
where: short stacking energy: -105.664
Base-Backbone interact. energy: -1.189
local terms energy: -157.740964
where:
bonds (distance) C4'-P energy: -35.900
bonds (distance) P-C4' energy: -37.366
flat angles C4'-P-C4' energy: -32.180
flat angles P-C4'-P energy: -24.771
tors. eta vs tors. theta energy: -27.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -286.472954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.472954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.472954 (E_RNA)
where:
Base-Base interactions energy: -148.075
where: short stacking energy: -80.285
Base-Backbone interact. energy: -2.134
local terms energy: -136.263438
where:
bonds (distance) C4'-P energy: -28.857
bonds (distance) P-C4' energy: -33.383
flat angles C4'-P-C4' energy: -30.907
flat angles P-C4'-P energy: -25.034
tors. eta vs tors. theta energy: -18.083
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: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -223.061111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.061111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.061111 (E_RNA)
where:
Base-Base interactions energy: -127.513
where: short stacking energy: -54.395
Base-Backbone interact. energy: 2.036
local terms energy: -97.583685
where:
bonds (distance) C4'-P energy: -26.592
bonds (distance) P-C4' energy: -31.724
flat angles C4'-P-C4' energy: -29.520
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -162.868359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.868359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.868359 (E_RNA)
where:
Base-Base interactions energy: -45.804
where: short stacking energy: -41.616
Base-Backbone interact. energy: -0.856
local terms energy: -116.208444
where:
bonds (distance) C4'-P energy: -30.328
bonds (distance) P-C4' energy: -29.165
flat angles C4'-P-C4' energy: -34.608
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -181.025401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.025401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.025401 (E_RNA)
where:
Base-Base interactions energy: -65.070
where: short stacking energy: -44.683
Base-Backbone interact. energy: 1.118
local terms energy: -117.073043
where:
bonds (distance) C4'-P energy: -32.469
bonds (distance) P-C4' energy: -32.056
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -8.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -167.487307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.487307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.487307 (E_RNA)
where:
Base-Base interactions energy: -56.486
where: short stacking energy: -37.688
Base-Backbone interact. energy: -2.130
local terms energy: -108.872030
where:
bonds (distance) C4'-P energy: -26.462
bonds (distance) P-C4' energy: -34.689
flat angles C4'-P-C4' energy: -29.688
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -3.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -538.031755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.031755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.031755 (E_RNA)
where:
Base-Base interactions energy: -356.974
where: short stacking energy: -152.397
Base-Backbone interact. energy: -1.122
local terms energy: -179.935165
where:
bonds (distance) C4'-P energy: -35.736
bonds (distance) P-C4' energy: -31.450
flat angles C4'-P-C4' energy: -40.963
flat angles P-C4'-P energy: -26.793
tors. eta vs tors. theta energy: -44.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -522.704019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.704019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.704019 (E_RNA)
where:
Base-Base interactions energy: -347.422
where: short stacking energy: -170.877
Base-Backbone interact. energy: -0.019
local terms energy: -175.263529
where:
bonds (distance) C4'-P energy: -27.589
bonds (distance) P-C4' energy: -30.269
flat angles C4'-P-C4' energy: -36.037
flat angles P-C4'-P energy: -25.019
tors. eta vs tors. theta energy: -56.349
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: 3, replica: 6
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -511.361300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.361300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.361300 (E_RNA)
where:
Base-Base interactions energy: -329.993
where: short stacking energy: -149.385
Base-Backbone interact. energy: -0.096
local terms energy: -181.272268
where:
bonds (distance) C4'-P energy: -25.592
bonds (distance) P-C4' energy: -38.586
flat angles C4'-P-C4' energy: -37.080
flat angles P-C4'-P energy: -28.845
tors. eta vs tors. theta energy: -51.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -432.153840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.153840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.153840 (E_RNA)
where:
Base-Base interactions energy: -257.616
where: short stacking energy: -126.019
Base-Backbone interact. energy: -1.090
local terms energy: -173.447925
where:
bonds (distance) C4'-P energy: -35.993
bonds (distance) P-C4' energy: -38.608
flat angles C4'-P-C4' energy: -38.774
flat angles P-C4'-P energy: -21.951
tors. eta vs tors. theta energy: -38.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -383.171791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.171791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.171791 (E_RNA)
where:
Base-Base interactions energy: -226.278
where: short stacking energy: -104.386
Base-Backbone interact. energy: 0.674
local terms energy: -157.567823
where:
bonds (distance) C4'-P energy: -31.930
bonds (distance) P-C4' energy: -33.954
flat angles C4'-P-C4' energy: -35.861
flat angles P-C4'-P energy: -25.447
tors. eta vs tors. theta energy: -30.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -269.674338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.674338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.674338 (E_RNA)
where:
Base-Base interactions energy: -140.216
where: short stacking energy: -70.965
Base-Backbone interact. energy: -1.211
local terms energy: -128.247815
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -37.872
flat angles C4'-P-C4' energy: -29.377
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -12.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -264.408371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.408371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.408371 (E_RNA)
where:
Base-Base interactions energy: -143.502
where: short stacking energy: -65.963
Base-Backbone interact. energy: -0.640
local terms energy: -120.267226
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -31.868
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: -15.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -166.747170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.747170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.747170 (E_RNA)
where:
Base-Base interactions energy: -49.002
where: short stacking energy: -41.930
Base-Backbone interact. energy: -1.004
local terms energy: -116.740814
where:
bonds (distance) C4'-P energy: -29.431
bonds (distance) P-C4' energy: -29.583
flat angles C4'-P-C4' energy: -35.803
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -10.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -150.320915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.320915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.320915 (E_RNA)
where:
Base-Base interactions energy: -51.977
where: short stacking energy: -45.495
Base-Backbone interact. energy: -0.054
local terms energy: -98.289867
where:
bonds (distance) C4'-P energy: -29.009
bonds (distance) P-C4' energy: -30.519
flat angles C4'-P-C4' energy: -25.557
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -151.063530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.063530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.063530 (E_RNA)
where:
Base-Base interactions energy: -58.439
where: short stacking energy: -37.484
Base-Backbone interact. energy: -0.868
local terms energy: -91.756327
where:
bonds (distance) C4'-P energy: -25.985
bonds (distance) P-C4' energy: -25.622
flat angles C4'-P-C4' energy: -29.882
flat angles P-C4'-P energy: -19.358
tors. eta vs tors. theta energy: 9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -536.423258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.423258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.423258 (E_RNA)
where:
Base-Base interactions energy: -358.103
where: short stacking energy: -154.009
Base-Backbone interact. energy: 0.105
local terms energy: -178.425377
where:
bonds (distance) C4'-P energy: -33.651
bonds (distance) P-C4' energy: -33.554
flat angles C4'-P-C4' energy: -35.914
flat angles P-C4'-P energy: -29.345
tors. eta vs tors. theta energy: -45.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -505.687274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.687274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.687274 (E_RNA)
where:
Base-Base interactions energy: -325.742
where: short stacking energy: -166.896
Base-Backbone interact. energy: -0.042
local terms energy: -179.903938
where:
bonds (distance) C4'-P energy: -33.273
bonds (distance) P-C4' energy: -31.469
flat angles C4'-P-C4' energy: -38.621
flat angles P-C4'-P energy: -24.065
tors. eta vs tors. theta energy: -52.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -489.324962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.324962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.324962 (E_RNA)
where:
Base-Base interactions energy: -320.373
where: short stacking energy: -134.704
Base-Backbone interact. energy: -1.632
local terms energy: -167.320575
where:
bonds (distance) C4'-P energy: -30.506
bonds (distance) P-C4' energy: -36.384
flat angles C4'-P-C4' energy: -33.211
flat angles P-C4'-P energy: -27.610
tors. eta vs tors. theta energy: -39.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -422.571306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.571306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.571306 (E_RNA)
where:
Base-Base interactions energy: -266.020
where: short stacking energy: -112.132
Base-Backbone interact. energy: -0.759
local terms energy: -155.792119
where:
bonds (distance) C4'-P energy: -30.762
bonds (distance) P-C4' energy: -34.080
flat angles C4'-P-C4' energy: -36.540
flat angles P-C4'-P energy: -19.605
tors. eta vs tors. theta energy: -34.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -356.473438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.473438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.473438 (E_RNA)
where:
Base-Base interactions energy: -214.563
where: short stacking energy: -107.253
Base-Backbone interact. energy: -0.521
local terms energy: -141.389477
where:
bonds (distance) C4'-P energy: -31.710
bonds (distance) P-C4' energy: -35.203
flat angles C4'-P-C4' energy: -33.825
flat angles P-C4'-P energy: -21.718
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -252.091805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.091805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.091805 (E_RNA)
where:
Base-Base interactions energy: -119.152
where: short stacking energy: -68.896
Base-Backbone interact. energy: -0.596
local terms energy: -132.343665
where:
bonds (distance) C4'-P energy: -37.953
bonds (distance) P-C4' energy: -34.341
flat angles C4'-P-C4' energy: -35.458
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -9.833
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: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -255.435220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.435220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.435220 (E_RNA)
where:
Base-Base interactions energy: -124.790
where: short stacking energy: -81.036
Base-Backbone interact. energy: -1.594
local terms energy: -129.051904
where:
bonds (distance) C4'-P energy: -32.235
bonds (distance) P-C4' energy: -35.440
flat angles C4'-P-C4' energy: -33.552
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -13.815
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: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -175.237641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.237641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.237641 (E_RNA)
where:
Base-Base interactions energy: -73.219
where: short stacking energy: -47.118
Base-Backbone interact. energy: 0.071
local terms energy: -102.089032
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -33.281
flat angles C4'-P-C4' energy: -26.892
flat angles P-C4'-P energy: -18.247
tors. eta vs tors. theta energy: 1.024
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: 9, replica: 5
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -144.951129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.951129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.951129 (E_RNA)
where:
Base-Base interactions energy: -51.765
where: short stacking energy: -41.737
Base-Backbone interact. energy: -1.844
local terms energy: -91.342777
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -29.922
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: 0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -144.974653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.974653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.974653 (E_RNA)
where:
Base-Base interactions energy: -35.766
where: short stacking energy: -37.906
Base-Backbone interact. energy: -0.501
local terms energy: -108.707511
where:
bonds (distance) C4'-P energy: -26.336
bonds (distance) P-C4' energy: -25.424
flat angles C4'-P-C4' energy: -36.045
flat angles P-C4'-P energy: -22.077
tors. eta vs tors. theta energy: 1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -536.458498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.458498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.458498 (E_RNA)
where:
Base-Base interactions energy: -358.484
where: short stacking energy: -148.549
Base-Backbone interact. energy: -0.191
local terms energy: -177.782867
where:
bonds (distance) C4'-P energy: -33.922
bonds (distance) P-C4' energy: -32.575
flat angles C4'-P-C4' energy: -42.146
flat angles P-C4'-P energy: -26.087
tors. eta vs tors. theta energy: -43.053
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: 2, replica: 6
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -497.675584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.675584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.675584 (E_RNA)
where:
Base-Base interactions energy: -324.080
where: short stacking energy: -135.740
Base-Backbone interact. energy: -0.742
local terms energy: -172.853908
where:
bonds (distance) C4'-P energy: -34.647
bonds (distance) P-C4' energy: -38.216
flat angles C4'-P-C4' energy: -34.411
flat angles P-C4'-P energy: -25.971
tors. eta vs tors. theta energy: -39.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -516.757894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.757894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.757894 (E_RNA)
where:
Base-Base interactions energy: -330.943
where: short stacking energy: -166.572
Base-Backbone interact. energy: -0.089
local terms energy: -185.726511
where:
bonds (distance) C4'-P energy: -33.179
bonds (distance) P-C4' energy: -29.374
flat angles C4'-P-C4' energy: -38.037
flat angles P-C4'-P energy: -30.755
tors. eta vs tors. theta energy: -54.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -440.597182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.597182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.597182 (E_RNA)
where:
Base-Base interactions energy: -276.398
where: short stacking energy: -120.511
Base-Backbone interact. energy: -0.108
local terms energy: -164.091219
where:
bonds (distance) C4'-P energy: -31.605
bonds (distance) P-C4' energy: -36.766
flat angles C4'-P-C4' energy: -34.522
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -43.302
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: 5, replica: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -375.084573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.084573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.084573 (E_RNA)
where:
Base-Base interactions energy: -234.906
where: short stacking energy: -98.549
Base-Backbone interact. energy: -0.336
local terms energy: -139.842897
where:
bonds (distance) C4'-P energy: -35.253
bonds (distance) P-C4' energy: -29.981
flat angles C4'-P-C4' energy: -31.433
flat angles P-C4'-P energy: -23.780
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -279.546079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.546079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.546079 (E_RNA)
where:
Base-Base interactions energy: -138.992
where: short stacking energy: -81.144
Base-Backbone interact. energy: -0.147
local terms energy: -140.407341
where:
bonds (distance) C4'-P energy: -34.181
bonds (distance) P-C4' energy: -35.741
flat angles C4'-P-C4' energy: -32.586
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -21.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -237.428650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.428650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.428650 (E_RNA)
where:
Base-Base interactions energy: -122.472
where: short stacking energy: -78.591
Base-Backbone interact. energy: -1.189
local terms energy: -113.767632
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -37.858
flat angles C4'-P-C4' energy: -27.310
flat angles P-C4'-P energy: -18.535
tors. eta vs tors. theta energy: -11.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -174.218527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.218527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.218527 (E_RNA)
where:
Base-Base interactions energy: -44.978
where: short stacking energy: -37.951
Base-Backbone interact. energy: 0.581
local terms energy: -129.821491
where:
bonds (distance) C4'-P energy: -31.808
bonds (distance) P-C4' energy: -34.720
flat angles C4'-P-C4' energy: -29.899
flat angles P-C4'-P energy: -26.119
tors. eta vs tors. theta energy: -7.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -161.333909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.333909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.333909 (E_RNA)
where:
Base-Base interactions energy: -46.731
where: short stacking energy: -38.912
Base-Backbone interact. energy: -0.563
local terms energy: -114.039043
where:
bonds (distance) C4'-P energy: -34.563
bonds (distance) P-C4' energy: -27.571
flat angles C4'-P-C4' energy: -27.624
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -140.850732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.850732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.850732 (E_RNA)
where:
Base-Base interactions energy: -42.110
where: short stacking energy: -26.819
Base-Backbone interact. energy: 0.326
local terms energy: -99.066092
where:
bonds (distance) C4'-P energy: -30.735
bonds (distance) P-C4' energy: -32.068
flat angles C4'-P-C4' energy: -32.536
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: 9.126
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: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -538.817492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.817492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.817492 (E_RNA)
where:
Base-Base interactions energy: -354.503
where: short stacking energy: -149.169
Base-Backbone interact. energy: 0.415
local terms energy: -184.729444
where:
bonds (distance) C4'-P energy: -38.752
bonds (distance) P-C4' energy: -32.425
flat angles C4'-P-C4' energy: -39.090
flat angles P-C4'-P energy: -28.561
tors. eta vs tors. theta energy: -45.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -520.776104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.776104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.776104 (E_RNA)
where:
Base-Base interactions energy: -351.554
where: short stacking energy: -140.533
Base-Backbone interact. energy: -1.930
local terms energy: -167.292140
where:
bonds (distance) C4'-P energy: -32.059
bonds (distance) P-C4' energy: -34.765
flat angles C4'-P-C4' energy: -37.359
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -39.411
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: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -510.565180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.565180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.565180 (E_RNA)
where:
Base-Base interactions energy: -323.410
where: short stacking energy: -164.930
Base-Backbone interact. energy: 0.467
local terms energy: -187.622067
where:
bonds (distance) C4'-P energy: -35.115
bonds (distance) P-C4' energy: -35.299
flat angles C4'-P-C4' energy: -33.686
flat angles P-C4'-P energy: -23.793
tors. eta vs tors. theta energy: -59.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -439.239686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.239686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.239686 (E_RNA)
where:
Base-Base interactions energy: -281.524
where: short stacking energy: -136.906
Base-Backbone interact. energy: -0.268
local terms energy: -157.446892
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -38.192
flat angles C4'-P-C4' energy: -36.280
flat angles P-C4'-P energy: -22.983
tors. eta vs tors. theta energy: -38.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -379.644607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.644607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.644607 (E_RNA)
where:
Base-Base interactions energy: -239.176
where: short stacking energy: -105.436
Base-Backbone interact. energy: -0.737
local terms energy: -139.730950
where:
bonds (distance) C4'-P energy: -29.144
bonds (distance) P-C4' energy: -35.131
flat angles C4'-P-C4' energy: -32.957
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -26.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -270.221370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.221370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.221370 (E_RNA)
where:
Base-Base interactions energy: -137.590
where: short stacking energy: -90.899
Base-Backbone interact. energy: -0.141
local terms energy: -132.490678
where:
bonds (distance) C4'-P energy: -35.828
bonds (distance) P-C4' energy: -29.972
flat angles C4'-P-C4' energy: -32.041
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -211.937083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.937083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.937083 (E_RNA)
where:
Base-Base interactions energy: -104.699
where: short stacking energy: -64.307
Base-Backbone interact. energy: 0.069
local terms energy: -107.306384
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -28.764
flat angles C4'-P-C4' energy: -35.599
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -12.742
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: 5
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -190.661147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.661147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.661147 (E_RNA)
where:
Base-Base interactions energy: -85.879
where: short stacking energy: -44.802
Base-Backbone interact. energy: -0.279
local terms energy: -104.503559
where:
bonds (distance) C4'-P energy: -31.522
bonds (distance) P-C4' energy: -33.229
flat angles C4'-P-C4' energy: -26.523
flat angles P-C4'-P energy: -19.886
tors. eta vs tors. theta energy: 6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -180.267393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.267393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.267393 (E_RNA)
where:
Base-Base interactions energy: -80.928
where: short stacking energy: -55.812
Base-Backbone interact. energy: 0.854
local terms energy: -100.193436
where:
bonds (distance) C4'-P energy: -28.907
bonds (distance) P-C4' energy: -32.348
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -0.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -151.838502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.838502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.838502 (E_RNA)
where:
Base-Base interactions energy: -47.148
where: short stacking energy: -39.461
Base-Backbone interact. energy: -0.799
local terms energy: -103.891144
where:
bonds (distance) C4'-P energy: -24.949
bonds (distance) P-C4' energy: -32.110
flat angles C4'-P-C4' energy: -29.915
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: 3.825
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: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -542.032500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.032500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.032500 (E_RNA)
where:
Base-Base interactions energy: -366.741
where: short stacking energy: -153.452
Base-Backbone interact. energy: 0.330
local terms energy: -175.622047
where:
bonds (distance) C4'-P energy: -35.336
bonds (distance) P-C4' energy: -33.940
flat angles C4'-P-C4' energy: -37.853
flat angles P-C4'-P energy: -25.514
tors. eta vs tors. theta energy: -42.979
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: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -524.629830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.629830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.629830 (E_RNA)
where:
Base-Base interactions energy: -342.168
where: short stacking energy: -145.836
Base-Backbone interact. energy: -1.971
local terms energy: -180.490812
where:
bonds (distance) C4'-P energy: -34.280
bonds (distance) P-C4' energy: -38.576
flat angles C4'-P-C4' energy: -34.067
flat angles P-C4'-P energy: -29.543
tors. eta vs tors. theta energy: -44.024
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: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -503.601885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.601885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.601885 (E_RNA)
where:
Base-Base interactions energy: -320.688
where: short stacking energy: -151.922
Base-Backbone interact. energy: -0.020
local terms energy: -182.893533
where:
bonds (distance) C4'-P energy: -31.927
bonds (distance) P-C4' energy: -33.560
flat angles C4'-P-C4' energy: -36.834
flat angles P-C4'-P energy: -24.665
tors. eta vs tors. theta energy: -55.907
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: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -413.481142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.481142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.481142 (E_RNA)
where:
Base-Base interactions energy: -256.129
where: short stacking energy: -132.748
Base-Backbone interact. energy: -0.351
local terms energy: -157.001075
where:
bonds (distance) C4'-P energy: -38.491
bonds (distance) P-C4' energy: -27.806
flat angles C4'-P-C4' energy: -32.801
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -40.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -389.253110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.253110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.253110 (E_RNA)
where:
Base-Base interactions energy: -249.844
where: short stacking energy: -107.740
Base-Backbone interact. energy: 0.160
local terms energy: -139.569202
where:
bonds (distance) C4'-P energy: -29.895
bonds (distance) P-C4' energy: -34.498
flat angles C4'-P-C4' energy: -31.930
flat angles P-C4'-P energy: -19.217
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: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -227.739151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.739151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.739151 (E_RNA)
where:
Base-Base interactions energy: -110.944
where: short stacking energy: -58.791
Base-Backbone interact. energy: -1.239
local terms energy: -115.556046
where:
bonds (distance) C4'-P energy: -29.089
bonds (distance) P-C4' energy: -37.737
flat angles C4'-P-C4' energy: -23.091
flat angles P-C4'-P energy: -20.429
tors. eta vs tors. theta energy: -5.210
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: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -226.113524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.113524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.113524 (E_RNA)
where:
Base-Base interactions energy: -111.059
where: short stacking energy: -64.272
Base-Backbone interact. energy: -0.654
local terms energy: -114.400609
where:
bonds (distance) C4'-P energy: -33.026
bonds (distance) P-C4' energy: -27.237
flat angles C4'-P-C4' energy: -31.166
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -172.506294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.506294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.506294 (E_RNA)
where:
Base-Base interactions energy: -70.354
where: short stacking energy: -62.715
Base-Backbone interact. energy: -1.128
local terms energy: -101.024226
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -30.864
flat angles C4'-P-C4' energy: -31.146
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -161.295137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.295137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.295137 (E_RNA)
where:
Base-Base interactions energy: -60.347
where: short stacking energy: -40.120
Base-Backbone interact. energy: 1.023
local terms energy: -101.970710
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -29.299
flat angles C4'-P-C4' energy: -28.184
flat angles P-C4'-P energy: -18.443
tors. eta vs tors. theta energy: -0.409
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: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -151.561721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.561721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.561721 (E_RNA)
where:
Base-Base interactions energy: -44.480
where: short stacking energy: -33.866
Base-Backbone interact. energy: -0.870
local terms energy: -106.211337
where:
bonds (distance) C4'-P energy: -31.155
bonds (distance) P-C4' energy: -33.512
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -25.284
tors. eta vs tors. theta energy: 3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -534.388869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.388869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.388869 (E_RNA)
where:
Base-Base interactions energy: -361.772
where: short stacking energy: -154.405
Base-Backbone interact. energy: -1.085
local terms energy: -171.532224
where:
bonds (distance) C4'-P energy: -27.031
bonds (distance) P-C4' energy: -30.372
flat angles C4'-P-C4' energy: -38.006
flat angles P-C4'-P energy: -26.343
tors. eta vs tors. theta energy: -49.779
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: 144
Temperature: 0.950000
Total energy: -522.203217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.203217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.203217 (E_RNA)
where:
Base-Base interactions energy: -350.495
where: short stacking energy: -149.965
Base-Backbone interact. energy: -1.199
local terms energy: -170.509293
where:
bonds (distance) C4'-P energy: -31.609
bonds (distance) P-C4' energy: -34.321
flat angles C4'-P-C4' energy: -38.907
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -46.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -492.416196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.416196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.416196 (E_RNA)
where:
Base-Base interactions energy: -323.269
where: short stacking energy: -138.003
Base-Backbone interact. energy: 0.197
local terms energy: -169.344597
where:
bonds (distance) C4'-P energy: -29.925
bonds (distance) P-C4' energy: -36.956
flat angles C4'-P-C4' energy: -38.554
flat angles P-C4'-P energy: -19.968
tors. eta vs tors. theta energy: -43.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -414.236797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.236797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.236797 (E_RNA)
where:
Base-Base interactions energy: -255.860
where: short stacking energy: -129.711
Base-Backbone interact. energy: 0.075
local terms energy: -158.451441
where:
bonds (distance) C4'-P energy: -31.313
bonds (distance) P-C4' energy: -38.966
flat angles C4'-P-C4' energy: -24.196
flat angles P-C4'-P energy: -23.111
tors. eta vs tors. theta energy: -40.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -376.648339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.648339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.648339 (E_RNA)
where:
Base-Base interactions energy: -239.053
where: short stacking energy: -99.923
Base-Backbone interact. energy: -1.025
local terms energy: -136.571062
where:
bonds (distance) C4'-P energy: -28.153
bonds (distance) P-C4' energy: -29.650
flat angles C4'-P-C4' energy: -32.593
flat angles P-C4'-P energy: -21.999
tors. eta vs tors. theta energy: -24.176
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: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -261.299509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.299509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.299509 (E_RNA)
where:
Base-Base interactions energy: -147.151
where: short stacking energy: -72.404
Base-Backbone interact. energy: 1.158
local terms energy: -115.306322
where:
bonds (distance) C4'-P energy: -26.705
bonds (distance) P-C4' energy: -31.152
flat angles C4'-P-C4' energy: -30.195
flat angles P-C4'-P energy: -18.073
tors. eta vs tors. theta energy: -9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -229.710161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.710161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.710161 (E_RNA)
where:
Base-Base interactions energy: -98.663
where: short stacking energy: -50.715
Base-Backbone interact. energy: -1.118
local terms energy: -129.929065
where:
bonds (distance) C4'-P energy: -35.046
bonds (distance) P-C4' energy: -35.821
flat angles C4'-P-C4' energy: -32.224
flat angles P-C4'-P energy: -20.693
tors. eta vs tors. theta energy: -6.145
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: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -171.076351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.076351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.076351 (E_RNA)
where:
Base-Base interactions energy: -71.636
where: short stacking energy: -58.251
Base-Backbone interact. energy: 1.926
local terms energy: -101.366439
where:
bonds (distance) C4'-P energy: -30.425
bonds (distance) P-C4' energy: -30.818
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -2.833
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: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -163.440193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.440193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.440193 (E_RNA)
where:
Base-Base interactions energy: -55.340
where: short stacking energy: -38.657
Base-Backbone interact. energy: 2.037
local terms energy: -110.137661
where:
bonds (distance) C4'-P energy: -30.162
bonds (distance) P-C4' energy: -36.447
flat angles C4'-P-C4' energy: -26.364
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: 0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -149.032987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.032987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.032987 (E_RNA)
where:
Base-Base interactions energy: -67.457
where: short stacking energy: -32.923
Base-Backbone interact. energy: 0.124
local terms energy: -81.699851
where:
bonds (distance) C4'-P energy: -24.548
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -18.574
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: 1, replica: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -526.760648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.760648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.760648 (E_RNA)
where:
Base-Base interactions energy: -353.531
where: short stacking energy: -156.486
Base-Backbone interact. energy: 0.575
local terms energy: -173.804464
where:
bonds (distance) C4'-P energy: -35.812
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -35.101
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: -48.915
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: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -487.056885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.056885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.056885 (E_RNA)
where:
Base-Base interactions energy: -315.362
where: short stacking energy: -148.777
Base-Backbone interact. energy: -0.198
local terms energy: -171.497186
where:
bonds (distance) C4'-P energy: -35.059
bonds (distance) P-C4' energy: -29.102
flat angles C4'-P-C4' energy: -37.694
flat angles P-C4'-P energy: -21.851
tors. eta vs tors. theta energy: -47.791
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: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -490.007331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.007331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.007331 (E_RNA)
where:
Base-Base interactions energy: -311.268
where: short stacking energy: -137.042
Base-Backbone interact. energy: -1.522
local terms energy: -177.217634
where:
bonds (distance) C4'-P energy: -31.923
bonds (distance) P-C4' energy: -37.673
flat angles C4'-P-C4' energy: -39.954
flat angles P-C4'-P energy: -30.334
tors. eta vs tors. theta energy: -37.334
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: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -411.085726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.085726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.085726 (E_RNA)
where:
Base-Base interactions energy: -251.016
where: short stacking energy: -129.877
Base-Backbone interact. energy: -1.020
local terms energy: -159.049489
where:
bonds (distance) C4'-P energy: -31.087
bonds (distance) P-C4' energy: -34.051
flat angles C4'-P-C4' energy: -34.246
flat angles P-C4'-P energy: -20.596
tors. eta vs tors. theta energy: -39.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -364.090782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.090782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.090782 (E_RNA)
where:
Base-Base interactions energy: -210.656
where: short stacking energy: -100.131
Base-Backbone interact. energy: 0.041
local terms energy: -153.475477
where:
bonds (distance) C4'-P energy: -31.839
bonds (distance) P-C4' energy: -39.417
flat angles C4'-P-C4' energy: -31.254
flat angles P-C4'-P energy: -21.466
tors. eta vs tors. theta energy: -29.500
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: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -270.985507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.985507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.985507 (E_RNA)
where:
Base-Base interactions energy: -138.003
where: short stacking energy: -83.233
Base-Backbone interact. energy: -0.540
local terms energy: -132.442391
where:
bonds (distance) C4'-P energy: -35.987
bonds (distance) P-C4' energy: -28.450
flat angles C4'-P-C4' energy: -30.040
flat angles P-C4'-P energy: -22.519
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: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -180.096372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.096372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.096372 (E_RNA)
where:
Base-Base interactions energy: -75.512
where: short stacking energy: -59.031
Base-Backbone interact. energy: 0.555
local terms energy: -105.138888
where:
bonds (distance) C4'-P energy: -30.342
bonds (distance) P-C4' energy: -38.612
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -4.343
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: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -176.509542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.509542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.509542 (E_RNA)
where:
Base-Base interactions energy: -66.705
where: short stacking energy: -61.838
Base-Backbone interact. energy: -1.355
local terms energy: -108.449226
where:
bonds (distance) C4'-P energy: -24.063
bonds (distance) P-C4' energy: -35.397
flat angles C4'-P-C4' energy: -23.018
flat angles P-C4'-P energy: -18.117
tors. eta vs tors. theta energy: -7.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -170.493711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.493711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.493711 (E_RNA)
where:
Base-Base interactions energy: -80.150
where: short stacking energy: -36.485
Base-Backbone interact. energy: -0.527
local terms energy: -89.816910
where:
bonds (distance) C4'-P energy: -24.719
bonds (distance) P-C4' energy: -30.954
flat angles C4'-P-C4' energy: -26.605
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: 7.245
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: 145
Temperature: 1.350000
Total energy: -165.348668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.348668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.348668 (E_RNA)
where:
Base-Base interactions energy: -50.652
where: short stacking energy: -40.879
Base-Backbone interact. energy: 5.211
local terms energy: -119.908117
where:
bonds (distance) C4'-P energy: -29.164
bonds (distance) P-C4' energy: -36.293
flat angles C4'-P-C4' energy: -31.433
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -529.139266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.139266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.139266 (E_RNA)
where:
Base-Base interactions energy: -350.973
where: short stacking energy: -163.057
Base-Backbone interact. energy: 0.471
local terms energy: -178.637313
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -36.068
flat angles C4'-P-C4' energy: -42.901
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -49.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -495.515770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.515770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.515770 (E_RNA)
where:
Base-Base interactions energy: -323.537
where: short stacking energy: -149.587
Base-Backbone interact. energy: -2.998
local terms energy: -168.980763
where:
bonds (distance) C4'-P energy: -28.287
bonds (distance) P-C4' energy: -34.331
flat angles C4'-P-C4' energy: -36.524
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: -48.582
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: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -505.720039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.720039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.720039 (E_RNA)
where:
Base-Base interactions energy: -337.318
where: short stacking energy: -143.428
Base-Backbone interact. energy: -1.034
local terms energy: -167.368256
where:
bonds (distance) C4'-P energy: -34.248
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -38.510
flat angles P-C4'-P energy: -24.387
tors. eta vs tors. theta energy: -43.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -404.726855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.726855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.726855 (E_RNA)
where:
Base-Base interactions energy: -244.638
where: short stacking energy: -111.821
Base-Backbone interact. energy: -0.183
local terms energy: -159.906364
where:
bonds (distance) C4'-P energy: -32.227
bonds (distance) P-C4' energy: -38.437
flat angles C4'-P-C4' energy: -30.924
flat angles P-C4'-P energy: -23.909
tors. eta vs tors. theta energy: -34.410
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: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -380.775059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.775059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.775059 (E_RNA)
where:
Base-Base interactions energy: -234.492
where: short stacking energy: -102.818
Base-Backbone interact. energy: -0.396
local terms energy: -145.887061
where:
bonds (distance) C4'-P energy: -30.697
bonds (distance) P-C4' energy: -34.935
flat angles C4'-P-C4' energy: -33.278
flat angles P-C4'-P energy: -21.792
tors. eta vs tors. theta energy: -25.185
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: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -276.504404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.504404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.504404 (E_RNA)
where:
Base-Base interactions energy: -153.813
where: short stacking energy: -80.936
Base-Backbone interact. energy: -0.450
local terms energy: -122.241576
where:
bonds (distance) C4'-P energy: -31.884
bonds (distance) P-C4' energy: -31.979
flat angles C4'-P-C4' energy: -27.300
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -194.280461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.280461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.280461 (E_RNA)
where:
Base-Base interactions energy: -73.820
where: short stacking energy: -48.692
Base-Backbone interact. energy: 0.510
local terms energy: -120.970726
where:
bonds (distance) C4'-P energy: -33.066
bonds (distance) P-C4' energy: -32.536
flat angles C4'-P-C4' energy: -35.479
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: 0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -171.746435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.746435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.746435 (E_RNA)
where:
Base-Base interactions energy: -44.688
where: short stacking energy: -39.519
Base-Backbone interact. energy: -0.306
local terms energy: -126.752467
where:
bonds (distance) C4'-P energy: -38.635
bonds (distance) P-C4' energy: -36.600
flat angles C4'-P-C4' energy: -26.961
flat angles P-C4'-P energy: -20.783
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -154.759609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.759609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.759609 (E_RNA)
where:
Base-Base interactions energy: -48.301
where: short stacking energy: -37.367
Base-Backbone interact. energy: 0.256
local terms energy: -106.714079
where:
bonds (distance) C4'-P energy: -37.386
bonds (distance) P-C4' energy: -29.042
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: 0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -155.203607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.203607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.203607 (E_RNA)
where:
Base-Base interactions energy: -62.064
where: short stacking energy: -41.183
Base-Backbone interact. energy: -0.412
local terms energy: -92.727203
where:
bonds (distance) C4'-P energy: -31.068
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -18.119
tors. eta vs tors. theta energy: 2.365
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: 1, replica: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -543.575152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.575152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.575152 (E_RNA)
where:
Base-Base interactions energy: -352.947
where: short stacking energy: -162.743
Base-Backbone interact. energy: -0.895
local terms energy: -189.733452
where:
bonds (distance) C4'-P energy: -35.843
bonds (distance) P-C4' energy: -37.563
flat angles C4'-P-C4' energy: -30.754
flat angles P-C4'-P energy: -30.204
tors. eta vs tors. theta energy: -55.370
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: 147
Temperature: 0.950000
Total energy: -512.885236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.885236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.885236 (E_RNA)
where:
Base-Base interactions energy: -340.047
where: short stacking energy: -147.092
Base-Backbone interact. energy: -0.784
local terms energy: -172.054227
where:
bonds (distance) C4'-P energy: -30.493
bonds (distance) P-C4' energy: -33.942
flat angles C4'-P-C4' energy: -38.569
flat angles P-C4'-P energy: -25.347
tors. eta vs tors. theta energy: -43.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -508.056909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.056909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.056909 (E_RNA)
where:
Base-Base interactions energy: -329.166
where: short stacking energy: -146.842
Base-Backbone interact. energy: -0.316
local terms energy: -178.575715
where:
bonds (distance) C4'-P energy: -34.770
bonds (distance) P-C4' energy: -31.670
flat angles C4'-P-C4' energy: -39.074
flat angles P-C4'-P energy: -26.810
tors. eta vs tors. theta energy: -46.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -411.419934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.419934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.419934 (E_RNA)
where:
Base-Base interactions energy: -254.648
where: short stacking energy: -115.184
Base-Backbone interact. energy: -1.995
local terms energy: -154.776023
where:
bonds (distance) C4'-P energy: -34.239
bonds (distance) P-C4' energy: -32.009
flat angles C4'-P-C4' energy: -31.887
flat angles P-C4'-P energy: -22.163
tors. eta vs tors. theta energy: -34.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -408.719899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.719899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.719899 (E_RNA)
where:
Base-Base interactions energy: -266.006
where: short stacking energy: -116.493
Base-Backbone interact. energy: -0.811
local terms energy: -141.903044
where:
bonds (distance) C4'-P energy: -27.196
bonds (distance) P-C4' energy: -23.796
flat angles C4'-P-C4' energy: -31.767
flat angles P-C4'-P energy: -25.862
tors. eta vs tors. theta energy: -33.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -267.935668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.935668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.935668 (E_RNA)
where:
Base-Base interactions energy: -140.700
where: short stacking energy: -81.137
Base-Backbone interact. energy: -0.547
local terms energy: -126.687924
where:
bonds (distance) C4'-P energy: -31.780
bonds (distance) P-C4' energy: -31.326
flat angles C4'-P-C4' energy: -30.843
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -11.631
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: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -181.237361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.237361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.237361 (E_RNA)
where:
Base-Base interactions energy: -72.907
where: short stacking energy: -50.870
Base-Backbone interact. energy: -0.352
local terms energy: -107.978017
where:
bonds (distance) C4'-P energy: -35.450
bonds (distance) P-C4' energy: -32.580
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -168.330684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.330684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.330684 (E_RNA)
where:
Base-Base interactions energy: -61.720
where: short stacking energy: -53.735
Base-Backbone interact. energy: -0.392
local terms energy: -106.218006
where:
bonds (distance) C4'-P energy: -31.771
bonds (distance) P-C4' energy: -24.970
flat angles C4'-P-C4' energy: -31.907
flat angles P-C4'-P energy: -14.006
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: 9, replica: 2
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -167.530921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.530921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.530921 (E_RNA)
where:
Base-Base interactions energy: -58.290
where: short stacking energy: -39.369
Base-Backbone interact. energy: -0.354
local terms energy: -108.887100
where:
bonds (distance) C4'-P energy: -27.636
bonds (distance) P-C4' energy: -32.501
flat angles C4'-P-C4' energy: -32.161
flat angles P-C4'-P energy: -22.524
tors. eta vs tors. theta energy: 5.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -144.715684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.715684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.715684 (E_RNA)
where:
Base-Base interactions energy: -54.791
where: short stacking energy: -49.540
Base-Backbone interact. energy: -0.519
local terms energy: -89.406050
where:
bonds (distance) C4'-P energy: -22.046
bonds (distance) P-C4' energy: -31.527
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -20.470
tors. eta vs tors. theta energy: 3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -531.006484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.006484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.006484 (E_RNA)
where:
Base-Base interactions energy: -351.107
where: short stacking energy: -145.091
Base-Backbone interact. energy: -1.178
local terms energy: -178.721713
where:
bonds (distance) C4'-P energy: -36.520
bonds (distance) P-C4' energy: -33.724
flat angles C4'-P-C4' energy: -35.262
flat angles P-C4'-P energy: -30.973
tors. eta vs tors. theta energy: -42.243
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: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -533.148700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.148700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.148700 (E_RNA)
where:
Base-Base interactions energy: -353.730
where: short stacking energy: -153.138
Base-Backbone interact. energy: -0.670
local terms energy: -178.749315
where:
bonds (distance) C4'-P energy: -30.619
bonds (distance) P-C4' energy: -33.811
flat angles C4'-P-C4' energy: -37.155
flat angles P-C4'-P energy: -27.438
tors. eta vs tors. theta energy: -49.726
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: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -486.949543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.949543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.949543 (E_RNA)
where:
Base-Base interactions energy: -317.583
where: short stacking energy: -142.873
Base-Backbone interact. energy: -2.162
local terms energy: -167.203814
where:
bonds (distance) C4'-P energy: -31.092
bonds (distance) P-C4' energy: -33.853
flat angles C4'-P-C4' energy: -40.370
flat angles P-C4'-P energy: -20.470
tors. eta vs tors. theta energy: -41.418
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: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -402.845534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.845534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.845534 (E_RNA)
where:
Base-Base interactions energy: -260.032
where: short stacking energy: -115.264
Base-Backbone interact. energy: -0.870
local terms energy: -141.943273
where:
bonds (distance) C4'-P energy: -31.143
bonds (distance) P-C4' energy: -33.653
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -23.529
tors. eta vs tors. theta energy: -30.382
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: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -405.688338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.688338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.688338 (E_RNA)
where:
Base-Base interactions energy: -258.975
where: short stacking energy: -120.184
Base-Backbone interact. energy: -0.902
local terms energy: -145.811283
where:
bonds (distance) C4'-P energy: -32.158
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -36.956
flat angles P-C4'-P energy: -23.950
tors. eta vs tors. theta energy: -33.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -285.240814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.240814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.240814 (E_RNA)
where:
Base-Base interactions energy: -137.876
where: short stacking energy: -76.347
Base-Backbone interact. energy: -0.075
local terms energy: -147.289211
where:
bonds (distance) C4'-P energy: -33.528
bonds (distance) P-C4' energy: -32.584
flat angles C4'-P-C4' energy: -29.373
flat angles P-C4'-P energy: -26.839
tors. eta vs tors. theta energy: -24.965
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: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -182.357079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.357079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.357079 (E_RNA)
where:
Base-Base interactions energy: -83.548
where: short stacking energy: -66.129
Base-Backbone interact. energy: 0.331
local terms energy: -99.139553
where:
bonds (distance) C4'-P energy: -29.474
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -26.301
flat angles P-C4'-P energy: -17.809
tors. eta vs tors. theta energy: -0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -184.551739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.551739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.551739 (E_RNA)
where:
Base-Base interactions energy: -78.931
where: short stacking energy: -44.154
Base-Backbone interact. energy: -2.087
local terms energy: -103.533859
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -29.956
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: 0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -159.339934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.339934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.339934 (E_RNA)
where:
Base-Base interactions energy: -51.680
where: short stacking energy: -41.036
Base-Backbone interact. energy: -0.344
local terms energy: -107.315104
where:
bonds (distance) C4'-P energy: -31.879
bonds (distance) P-C4' energy: -33.387
flat angles C4'-P-C4' energy: -25.961
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: 2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -137.108090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.108090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.108090 (E_RNA)
where:
Base-Base interactions energy: -40.482
where: short stacking energy: -35.545
Base-Backbone interact. energy: -0.793
local terms energy: -95.832608
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -33.438
flat angles C4'-P-C4' energy: -30.824
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -523.646855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.646855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.646855 (E_RNA)
where:
Base-Base interactions energy: -338.820
where: short stacking energy: -149.137
Base-Backbone interact. energy: -0.655
local terms energy: -184.172315
where:
bonds (distance) C4'-P energy: -36.568
bonds (distance) P-C4' energy: -33.571
flat angles C4'-P-C4' energy: -39.307
flat angles P-C4'-P energy: -29.824
tors. eta vs tors. theta energy: -44.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -514.227569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.227569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.227569 (E_RNA)
where:
Base-Base interactions energy: -316.726
where: short stacking energy: -160.003
Base-Backbone interact. energy: -0.294
local terms energy: -197.207601
where:
bonds (distance) C4'-P energy: -38.281
bonds (distance) P-C4' energy: -34.653
flat angles C4'-P-C4' energy: -37.808
flat angles P-C4'-P energy: -29.516
tors. eta vs tors. theta energy: -56.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -504.125026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.125026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.125026 (E_RNA)
where:
Base-Base interactions energy: -341.195
where: short stacking energy: -146.306
Base-Backbone interact. energy: -0.026
local terms energy: -162.903879
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -38.114
flat angles C4'-P-C4' energy: -29.323
flat angles P-C4'-P energy: -23.141
tors. eta vs tors. theta energy: -42.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -396.628921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.628921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.628921 (E_RNA)
where:
Base-Base interactions energy: -248.834
where: short stacking energy: -108.975
Base-Backbone interact. energy: -0.371
local terms energy: -147.423535
where:
bonds (distance) C4'-P energy: -28.299
bonds (distance) P-C4' energy: -27.200
flat angles C4'-P-C4' energy: -39.083
flat angles P-C4'-P energy: -21.720
tors. eta vs tors. theta energy: -31.122
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: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -403.596142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.596142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.596142 (E_RNA)
where:
Base-Base interactions energy: -256.405
where: short stacking energy: -123.511
Base-Backbone interact. energy: 2.674
local terms energy: -149.864613
where:
bonds (distance) C4'-P energy: -33.203
bonds (distance) P-C4' energy: -27.746
flat angles C4'-P-C4' energy: -33.535
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: -31.575
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: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -294.622999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.622999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.622999 (E_RNA)
where:
Base-Base interactions energy: -156.917
where: short stacking energy: -81.001
Base-Backbone interact. energy: -0.577
local terms energy: -137.129731
where:
bonds (distance) C4'-P energy: -29.452
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -29.855
flat angles P-C4'-P energy: -27.690
tors. eta vs tors. theta energy: -26.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -190.699904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.699904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.699904 (E_RNA)
where:
Base-Base interactions energy: -66.710
where: short stacking energy: -52.404
Base-Backbone interact. energy: -0.128
local terms energy: -123.861951
where:
bonds (distance) C4'-P energy: -31.938
bonds (distance) P-C4' energy: -35.385
flat angles C4'-P-C4' energy: -32.610
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: 2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -166.882792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.882792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.882792 (E_RNA)
where:
Base-Base interactions energy: -48.873
where: short stacking energy: -48.078
Base-Backbone interact. energy: -0.754
local terms energy: -117.255601
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -31.604
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -179.300101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.300101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.300101 (E_RNA)
where:
Base-Base interactions energy: -78.708
where: short stacking energy: -43.338
Base-Backbone interact. energy: -0.781
local terms energy: -99.811227
where:
bonds (distance) C4'-P energy: -28.207
bonds (distance) P-C4' energy: -26.256
flat angles C4'-P-C4' energy: -28.603
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -147.500735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.500735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.500735 (E_RNA)
where:
Base-Base interactions energy: -46.763
where: short stacking energy: -36.706
Base-Backbone interact. energy: -0.803
local terms energy: -99.934828
where:
bonds (distance) C4'-P energy: -33.011
bonds (distance) P-C4' energy: -26.278
flat angles C4'-P-C4' energy: -24.081
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -0.877
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: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -521.621497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.621497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.621497 (E_RNA)
where:
Base-Base interactions energy: -348.613
where: short stacking energy: -154.706
Base-Backbone interact. energy: -1.271
local terms energy: -171.737752
where:
bonds (distance) C4'-P energy: -33.069
bonds (distance) P-C4' energy: -30.728
flat angles C4'-P-C4' energy: -34.670
flat angles P-C4'-P energy: -28.282
tors. eta vs tors. theta energy: -44.989
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: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -530.084941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.084941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.084941 (E_RNA)
where:
Base-Base interactions energy: -347.068
where: short stacking energy: -166.253
Base-Backbone interact. energy: -0.223
local terms energy: -182.794129
where:
bonds (distance) C4'-P energy: -33.198
bonds (distance) P-C4' energy: -33.295
flat angles C4'-P-C4' energy: -35.532
flat angles P-C4'-P energy: -27.471
tors. eta vs tors. theta energy: -53.298
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: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -491.512821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.512821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.512821 (E_RNA)
where:
Base-Base interactions energy: -316.270
where: short stacking energy: -147.804
Base-Backbone interact. energy: -0.644
local terms energy: -174.599504
where:
bonds (distance) C4'-P energy: -35.617
bonds (distance) P-C4' energy: -37.040
flat angles C4'-P-C4' energy: -39.114
flat angles P-C4'-P energy: -18.283
tors. eta vs tors. theta energy: -44.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -408.092431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.092431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.092431 (E_RNA)
where:
Base-Base interactions energy: -259.898
where: short stacking energy: -109.897
Base-Backbone interact. energy: -1.017
local terms energy: -147.176879
where:
bonds (distance) C4'-P energy: -33.979
bonds (distance) P-C4' energy: -30.577
flat angles C4'-P-C4' energy: -32.601
flat angles P-C4'-P energy: -21.416
tors. eta vs tors. theta energy: -28.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -405.901422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.901422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.901422 (E_RNA)
where:
Base-Base interactions energy: -246.098
where: short stacking energy: -114.848
Base-Backbone interact. energy: -0.125
local terms energy: -159.678258
where:
bonds (distance) C4'-P energy: -28.392
bonds (distance) P-C4' energy: -36.096
flat angles C4'-P-C4' energy: -37.508
flat angles P-C4'-P energy: -20.142
tors. eta vs tors. theta energy: -37.540
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: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -285.629157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.629157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.629157 (E_RNA)
where:
Base-Base interactions energy: -156.451
where: short stacking energy: -87.765
Base-Backbone interact. energy: -1.383
local terms energy: -127.795310
where:
bonds (distance) C4'-P energy: -24.244
bonds (distance) P-C4' energy: -28.988
flat angles C4'-P-C4' energy: -28.107
flat angles P-C4'-P energy: -24.878
tors. eta vs tors. theta energy: -21.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -190.261711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.261711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.261711 (E_RNA)
where:
Base-Base interactions energy: -77.879
where: short stacking energy: -41.107
Base-Backbone interact. energy: -1.779
local terms energy: -110.604015
where:
bonds (distance) C4'-P energy: -30.638
bonds (distance) P-C4' energy: -34.866
flat angles C4'-P-C4' energy: -26.020
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -178.760007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.760007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.760007 (E_RNA)
where:
Base-Base interactions energy: -64.713
where: short stacking energy: -29.741
Base-Backbone interact. energy: -0.106
local terms energy: -113.940883
where:
bonds (distance) C4'-P energy: -34.830
bonds (distance) P-C4' energy: -32.484
flat angles C4'-P-C4' energy: -29.838
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: 1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -186.869931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.869931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.869931 (E_RNA)
where:
Base-Base interactions energy: -77.359
where: short stacking energy: -45.733
Base-Backbone interact. energy: 0.116
local terms energy: -109.626540
where:
bonds (distance) C4'-P energy: -32.617
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -32.244
flat angles P-C4'-P energy: -16.784
tors. eta vs tors. theta energy: -0.106
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: 2
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -148.636704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.636704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.636704 (E_RNA)
where:
Base-Base interactions energy: -59.655
where: short stacking energy: -33.941
Base-Backbone interact. energy: 1.243
local terms energy: -90.224645
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: 3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -520.522543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.522543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.522543 (E_RNA)
where:
Base-Base interactions energy: -338.247
where: short stacking energy: -147.250
Base-Backbone interact. energy: -1.812
local terms energy: -180.464032
where:
bonds (distance) C4'-P energy: -39.903
bonds (distance) P-C4' energy: -31.620
flat angles C4'-P-C4' energy: -39.287
flat angles P-C4'-P energy: -28.084
tors. eta vs tors. theta energy: -41.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -511.019393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.019393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.019393 (E_RNA)
where:
Base-Base interactions energy: -334.841
where: short stacking energy: -153.077
Base-Backbone interact. energy: -0.771
local terms energy: -175.407511
where:
bonds (distance) C4'-P energy: -30.355
bonds (distance) P-C4' energy: -37.659
flat angles C4'-P-C4' energy: -32.790
flat angles P-C4'-P energy: -28.201
tors. eta vs tors. theta energy: -46.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -500.243561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.243561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.243561 (E_RNA)
where:
Base-Base interactions energy: -329.826
where: short stacking energy: -145.723
Base-Backbone interact. energy: 0.152
local terms energy: -170.569671
where:
bonds (distance) C4'-P energy: -30.972
bonds (distance) P-C4' energy: -37.004
flat angles C4'-P-C4' energy: -38.584
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -46.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -363.178970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.178970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.178970 (E_RNA)
where:
Base-Base interactions energy: -209.000
where: short stacking energy: -99.910
Base-Backbone interact. energy: -0.318
local terms energy: -153.861071
where:
bonds (distance) C4'-P energy: -29.879
bonds (distance) P-C4' energy: -40.378
flat angles C4'-P-C4' energy: -32.484
flat angles P-C4'-P energy: -28.188
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: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -378.491129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.491129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.491129 (E_RNA)
where:
Base-Base interactions energy: -222.677
where: short stacking energy: -104.881
Base-Backbone interact. energy: -1.178
local terms energy: -154.635817
where:
bonds (distance) C4'-P energy: -32.952
bonds (distance) P-C4' energy: -36.758
flat angles C4'-P-C4' energy: -30.011
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -33.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -267.996444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.996444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.996444 (E_RNA)
where:
Base-Base interactions energy: -133.241
where: short stacking energy: -72.081
Base-Backbone interact. energy: -0.415
local terms energy: -134.339651
where:
bonds (distance) C4'-P energy: -30.422
bonds (distance) P-C4' energy: -35.551
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -20.500
tors. eta vs tors. theta energy: -14.573
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: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -216.576115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.576115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.576115 (E_RNA)
where:
Base-Base interactions energy: -94.652
where: short stacking energy: -51.401
Base-Backbone interact. energy: 0.085
local terms energy: -122.009703
where:
bonds (distance) C4'-P energy: -30.973
bonds (distance) P-C4' energy: -34.415
flat angles C4'-P-C4' energy: -29.463
flat angles P-C4'-P energy: -19.657
tors. eta vs tors. theta energy: -7.501
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: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -172.815026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.815026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.815026 (E_RNA)
where:
Base-Base interactions energy: -59.913
where: short stacking energy: -47.810
Base-Backbone interact. energy: 1.224
local terms energy: -114.126136
where:
bonds (distance) C4'-P energy: -30.964
bonds (distance) P-C4' energy: -33.085
flat angles C4'-P-C4' energy: -31.539
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -4.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -156.249668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.249668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.249668 (E_RNA)
where:
Base-Base interactions energy: -68.264
where: short stacking energy: -37.780
Base-Backbone interact. energy: 3.053
local terms energy: -91.038536
where:
bonds (distance) C4'-P energy: -27.200
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -33.944
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: 6.603
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: 2
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -159.704705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.704705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.704705 (E_RNA)
where:
Base-Base interactions energy: -66.430
where: short stacking energy: -47.987
Base-Backbone interact. energy: 0.785
local terms energy: -94.060076
where:
bonds (distance) C4'-P energy: -29.774
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -23.625
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -527.725910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.725910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.725910 (E_RNA)
where:
Base-Base interactions energy: -342.982
where: short stacking energy: -145.516
Base-Backbone interact. energy: -0.999
local terms energy: -183.744688
where:
bonds (distance) C4'-P energy: -34.545
bonds (distance) P-C4' energy: -39.551
flat angles C4'-P-C4' energy: -39.204
flat angles P-C4'-P energy: -26.714
tors. eta vs tors. theta energy: -43.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -514.329610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.329610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.329610 (E_RNA)
where:
Base-Base interactions energy: -330.003
where: short stacking energy: -159.786
Base-Backbone interact. energy: -0.054
local terms energy: -184.272926
where:
bonds (distance) C4'-P energy: -35.179
bonds (distance) P-C4' energy: -37.228
flat angles C4'-P-C4' energy: -35.498
flat angles P-C4'-P energy: -25.589
tors. eta vs tors. theta energy: -50.778
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: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -483.057529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.057529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.057529 (E_RNA)
where:
Base-Base interactions energy: -317.035
where: short stacking energy: -128.825
Base-Backbone interact. energy: -0.184
local terms energy: -165.838351
where:
bonds (distance) C4'-P energy: -28.247
bonds (distance) P-C4' energy: -37.853
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -22.399
tors. eta vs tors. theta energy: -45.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -426.720275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.720275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.720275 (E_RNA)
where:
Base-Base interactions energy: -268.484
where: short stacking energy: -132.063
Base-Backbone interact. energy: -0.317
local terms energy: -157.918983
where:
bonds (distance) C4'-P energy: -28.694
bonds (distance) P-C4' energy: -38.415
flat angles C4'-P-C4' energy: -28.005
flat angles P-C4'-P energy: -22.802
tors. eta vs tors. theta energy: -40.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -415.684242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.684242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.684242 (E_RNA)
where:
Base-Base interactions energy: -263.122
where: short stacking energy: -118.904
Base-Backbone interact. energy: -0.289
local terms energy: -152.272331
where:
bonds (distance) C4'-P energy: -27.514
bonds (distance) P-C4' energy: -34.399
flat angles C4'-P-C4' energy: -35.063
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -40.077
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: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -258.720188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.720188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.720188 (E_RNA)
where:
Base-Base interactions energy: -128.559
where: short stacking energy: -71.053
Base-Backbone interact. energy: -0.451
local terms energy: -129.711063
where:
bonds (distance) C4'-P energy: -26.767
bonds (distance) P-C4' energy: -25.693
flat angles C4'-P-C4' energy: -36.769
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -182.825786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.825786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.825786 (E_RNA)
where:
Base-Base interactions energy: -62.437
where: short stacking energy: -56.669
Base-Backbone interact. energy: -0.662
local terms energy: -119.726959
where:
bonds (distance) C4'-P energy: -29.517
bonds (distance) P-C4' energy: -29.638
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -24.193
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: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -182.761031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.761031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.761031 (E_RNA)
where:
Base-Base interactions energy: -78.698
where: short stacking energy: -53.716
Base-Backbone interact. energy: -1.128
local terms energy: -102.934386
where:
bonds (distance) C4'-P energy: -31.279
bonds (distance) P-C4' energy: -29.247
flat angles C4'-P-C4' energy: -24.387
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -159.679155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.679155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.679155 (E_RNA)
where:
Base-Base interactions energy: -57.395
where: short stacking energy: -39.417
Base-Backbone interact. energy: -0.092
local terms energy: -102.192886
where:
bonds (distance) C4'-P energy: -34.752
bonds (distance) P-C4' energy: -25.999
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -21.470
tors. eta vs tors. theta energy: 4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -149.707772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.707772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.707772 (E_RNA)
where:
Base-Base interactions energy: -38.117
where: short stacking energy: -38.376
Base-Backbone interact. energy: 0.741
local terms energy: -112.331855
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -31.671
flat angles C4'-P-C4' energy: -28.792
flat angles P-C4'-P energy: -25.371
tors. eta vs tors. theta energy: -2.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -537.600976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.600976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.600976 (E_RNA)
where:
Base-Base interactions energy: -362.665
where: short stacking energy: -159.123
Base-Backbone interact. energy: -0.796
local terms energy: -174.140195
where:
bonds (distance) C4'-P energy: -35.293
bonds (distance) P-C4' energy: -28.322
flat angles C4'-P-C4' energy: -37.957
flat angles P-C4'-P energy: -26.406
tors. eta vs tors. theta energy: -46.162
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: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -507.927866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.927866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.927866 (E_RNA)
where:
Base-Base interactions energy: -335.414
where: short stacking energy: -143.450
Base-Backbone interact. energy: 0.009
local terms energy: -172.522167
where:
bonds (distance) C4'-P energy: -36.466
bonds (distance) P-C4' energy: -39.012
flat angles C4'-P-C4' energy: -33.299
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -46.502
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: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -475.487537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.487537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.487537 (E_RNA)
where:
Base-Base interactions energy: -296.291
where: short stacking energy: -138.394
Base-Backbone interact. energy: -0.452
local terms energy: -178.744472
where:
bonds (distance) C4'-P energy: -35.369
bonds (distance) P-C4' energy: -33.586
flat angles C4'-P-C4' energy: -38.496
flat angles P-C4'-P energy: -23.657
tors. eta vs tors. theta energy: -47.636
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: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -419.776800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.776800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.776800 (E_RNA)
where:
Base-Base interactions energy: -260.613
where: short stacking energy: -136.168
Base-Backbone interact. energy: -0.068
local terms energy: -159.095891
where:
bonds (distance) C4'-P energy: -31.956
bonds (distance) P-C4' energy: -40.928
flat angles C4'-P-C4' energy: -35.416
flat angles P-C4'-P energy: -12.124
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: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -425.786535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.786535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.786535 (E_RNA)
where:
Base-Base interactions energy: -270.609
where: short stacking energy: -126.520
Base-Backbone interact. energy: 0.171
local terms energy: -155.347827
where:
bonds (distance) C4'-P energy: -30.139
bonds (distance) P-C4' energy: -33.885
flat angles C4'-P-C4' energy: -30.014
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -38.895
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: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -253.113771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.113771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.113771 (E_RNA)
where:
Base-Base interactions energy: -132.674
where: short stacking energy: -76.332
Base-Backbone interact. energy: 1.127
local terms energy: -121.566665
where:
bonds (distance) C4'-P energy: -35.310
bonds (distance) P-C4' energy: -27.193
flat angles C4'-P-C4' energy: -33.032
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -8.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -208.667730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.667730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.667730 (E_RNA)
where:
Base-Base interactions energy: -105.787
where: short stacking energy: -58.875
Base-Backbone interact. energy: -0.351
local terms energy: -102.529890
where:
bonds (distance) C4'-P energy: -32.327
bonds (distance) P-C4' energy: -29.764
flat angles C4'-P-C4' energy: -31.369
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: 2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -162.494037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.494037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.494037 (E_RNA)
where:
Base-Base interactions energy: -54.257
where: short stacking energy: -42.991
Base-Backbone interact. energy: 0.335
local terms energy: -108.571697
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -34.757
flat angles C4'-P-C4' energy: -23.339
flat angles P-C4'-P energy: -23.494
tors. eta vs tors. theta energy: -0.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -160.215280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.215280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.215280 (E_RNA)
where:
Base-Base interactions energy: -54.402
where: short stacking energy: -41.629
Base-Backbone interact. energy: -0.527
local terms energy: -105.286133
where:
bonds (distance) C4'-P energy: -27.990
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -27.154
flat angles P-C4'-P energy: -15.530
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -152.934416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.934416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.934416 (E_RNA)
where:
Base-Base interactions energy: -61.554
where: short stacking energy: -42.912
Base-Backbone interact. energy: 1.841
local terms energy: -93.221232
where:
bonds (distance) C4'-P energy: -31.276
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -1.841
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: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -536.439413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.439413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.439413 (E_RNA)
where:
Base-Base interactions energy: -363.202
where: short stacking energy: -160.733
Base-Backbone interact. energy: -0.543
local terms energy: -172.693881
where:
bonds (distance) C4'-P energy: -33.442
bonds (distance) P-C4' energy: -29.883
flat angles C4'-P-C4' energy: -34.514
flat angles P-C4'-P energy: -28.177
tors. eta vs tors. theta energy: -46.676
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: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -509.614464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.614464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.614464 (E_RNA)
where:
Base-Base interactions energy: -340.974
where: short stacking energy: -149.064
Base-Backbone interact. energy: 2.543
local terms energy: -171.183438
where:
bonds (distance) C4'-P energy: -32.473
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -39.997
flat angles P-C4'-P energy: -28.701
tors. eta vs tors. theta energy: -39.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -479.179144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.179144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.179144 (E_RNA)
where:
Base-Base interactions energy: -299.132
where: short stacking energy: -148.578
Base-Backbone interact. energy: -0.914
local terms energy: -179.132866
where:
bonds (distance) C4'-P energy: -25.965
bonds (distance) P-C4' energy: -36.807
flat angles C4'-P-C4' energy: -40.454
flat angles P-C4'-P energy: -28.150
tors. eta vs tors. theta energy: -47.757
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: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -405.101999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.101999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.101999 (E_RNA)
where:
Base-Base interactions energy: -247.698
where: short stacking energy: -124.058
Base-Backbone interact. energy: -0.170
local terms energy: -157.233477
where:
bonds (distance) C4'-P energy: -29.961
bonds (distance) P-C4' energy: -30.944
flat angles C4'-P-C4' energy: -29.557
flat angles P-C4'-P energy: -27.944
tors. eta vs tors. theta energy: -38.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -402.731210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.731210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.731210 (E_RNA)
where:
Base-Base interactions energy: -257.816
where: short stacking energy: -114.697
Base-Backbone interact. energy: -0.155
local terms energy: -144.760954
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -36.385
flat angles P-C4'-P energy: -23.985
tors. eta vs tors. theta energy: -27.893
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: 10
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -245.167619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.167619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.167619 (E_RNA)
where:
Base-Base interactions energy: -130.006
where: short stacking energy: -73.608
Base-Backbone interact. energy: -2.630
local terms energy: -112.531347
where:
bonds (distance) C4'-P energy: -26.135
bonds (distance) P-C4' energy: -37.999
flat angles C4'-P-C4' energy: -25.962
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -179.726869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.726869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.726869 (E_RNA)
where:
Base-Base interactions energy: -94.216
where: short stacking energy: -47.604
Base-Backbone interact. energy: -0.348
local terms energy: -85.162816
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -28.853
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: 2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -179.581120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.581120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.581120 (E_RNA)
where:
Base-Base interactions energy: -78.081
where: short stacking energy: -52.207
Base-Backbone interact. energy: -0.496
local terms energy: -101.004372
where:
bonds (distance) C4'-P energy: -30.776
bonds (distance) P-C4' energy: -33.971
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -173.235744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.235744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.235744 (E_RNA)
where:
Base-Base interactions energy: -66.546
where: short stacking energy: -57.152
Base-Backbone interact. energy: -0.390
local terms energy: -106.299598
where:
bonds (distance) C4'-P energy: -26.394
bonds (distance) P-C4' energy: -28.871
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -20.630
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: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -136.238984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.238984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.238984 (E_RNA)
where:
Base-Base interactions energy: -37.916
where: short stacking energy: -31.864
Base-Backbone interact. energy: -0.191
local terms energy: -98.131955
where:
bonds (distance) C4'-P energy: -34.951
bonds (distance) P-C4' energy: -29.255
flat angles C4'-P-C4' energy: -29.351
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: 13.826
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: 1, replica: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -539.934484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.934484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.934484 (E_RNA)
where:
Base-Base interactions energy: -355.352
where: short stacking energy: -153.385
Base-Backbone interact. energy: -0.514
local terms energy: -184.068474
where:
bonds (distance) C4'-P energy: -30.108
bonds (distance) P-C4' energy: -32.716
flat angles C4'-P-C4' energy: -41.695
flat angles P-C4'-P energy: -34.819
tors. eta vs tors. theta energy: -44.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -514.459107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.459107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.459107 (E_RNA)
where:
Base-Base interactions energy: -347.516
where: short stacking energy: -150.542
Base-Backbone interact. energy: 0.965
local terms energy: -167.908999
where:
bonds (distance) C4'-P energy: -25.348
bonds (distance) P-C4' energy: -31.419
flat angles C4'-P-C4' energy: -39.680
flat angles P-C4'-P energy: -26.450
tors. eta vs tors. theta energy: -45.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -479.247581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.247581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.247581 (E_RNA)
where:
Base-Base interactions energy: -310.819
where: short stacking energy: -136.989
Base-Backbone interact. energy: -0.187
local terms energy: -168.241484
where:
bonds (distance) C4'-P energy: -31.036
bonds (distance) P-C4' energy: -33.898
flat angles C4'-P-C4' energy: -37.792
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: -43.488
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: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -425.209663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.209663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.209663 (E_RNA)
where:
Base-Base interactions energy: -266.130
where: short stacking energy: -133.110
Base-Backbone interact. energy: -0.157
local terms energy: -158.922635
where:
bonds (distance) C4'-P energy: -35.128
bonds (distance) P-C4' energy: -31.762
flat angles C4'-P-C4' energy: -30.594
flat angles P-C4'-P energy: -21.526
tors. eta vs tors. theta energy: -39.913
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: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -384.605343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.605343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.605343 (E_RNA)
where:
Base-Base interactions energy: -245.893
where: short stacking energy: -116.366
Base-Backbone interact. energy: -0.616
local terms energy: -138.096529
where:
bonds (distance) C4'-P energy: -32.001
bonds (distance) P-C4' energy: -30.118
flat angles C4'-P-C4' energy: -26.120
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -31.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -269.281251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.281251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.281251 (E_RNA)
where:
Base-Base interactions energy: -134.888
where: short stacking energy: -60.000
Base-Backbone interact. energy: -1.561
local terms energy: -132.831872
where:
bonds (distance) C4'-P energy: -34.810
bonds (distance) P-C4' energy: -36.416
flat angles C4'-P-C4' energy: -28.660
flat angles P-C4'-P energy: -19.036
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -208.310195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.310195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.310195 (E_RNA)
where:
Base-Base interactions energy: -89.501
where: short stacking energy: -56.827
Base-Backbone interact. energy: -1.115
local terms energy: -117.694424
where:
bonds (distance) C4'-P energy: -36.436
bonds (distance) P-C4' energy: -30.773
flat angles C4'-P-C4' energy: -29.577
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -201.655441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.655441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.655441 (E_RNA)
where:
Base-Base interactions energy: -102.466
where: short stacking energy: -62.629
Base-Backbone interact. energy: -0.610
local terms energy: -98.579655
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -29.245
flat angles C4'-P-C4' energy: -29.194
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -2.942
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: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -148.024367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.024367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.024367 (E_RNA)
where:
Base-Base interactions energy: -32.361
where: short stacking energy: -30.780
Base-Backbone interact. energy: -0.648
local terms energy: -115.015808
where:
bonds (distance) C4'-P energy: -32.729
bonds (distance) P-C4' energy: -32.784
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -21.282
tors. eta vs tors. theta energy: 4.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -140.964626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.964626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.964626 (E_RNA)
where:
Base-Base interactions energy: -51.980
where: short stacking energy: -46.253
Base-Backbone interact. energy: -0.217
local terms energy: -88.767640
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -26.891
flat angles C4'-P-C4' energy: -24.266
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: 3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -525.527056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.527056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.527056 (E_RNA)
where:
Base-Base interactions energy: -345.898
where: short stacking energy: -160.885
Base-Backbone interact. energy: 0.843
local terms energy: -180.472602
where:
bonds (distance) C4'-P energy: -32.447
bonds (distance) P-C4' energy: -34.546
flat angles C4'-P-C4' energy: -37.072
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -51.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -509.790400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.790400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.790400 (E_RNA)
where:
Base-Base interactions energy: -336.192
where: short stacking energy: -153.161
Base-Backbone interact. energy: 0.043
local terms energy: -173.641054
where:
bonds (distance) C4'-P energy: -33.616
bonds (distance) P-C4' energy: -31.592
flat angles C4'-P-C4' energy: -41.452
flat angles P-C4'-P energy: -20.547
tors. eta vs tors. theta energy: -46.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -505.486594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.486594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.486594 (E_RNA)
where:
Base-Base interactions energy: -325.965
where: short stacking energy: -163.650
Base-Backbone interact. energy: -0.166
local terms energy: -179.355090
where:
bonds (distance) C4'-P energy: -31.404
bonds (distance) P-C4' energy: -26.068
flat angles C4'-P-C4' energy: -41.203
flat angles P-C4'-P energy: -27.614
tors. eta vs tors. theta energy: -53.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -447.904357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.904357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.904357 (E_RNA)
where:
Base-Base interactions energy: -280.008
where: short stacking energy: -125.590
Base-Backbone interact. energy: -0.672
local terms energy: -167.224886
where:
bonds (distance) C4'-P energy: -31.503
bonds (distance) P-C4' energy: -33.469
flat angles C4'-P-C4' energy: -35.385
flat angles P-C4'-P energy: -21.368
tors. eta vs tors. theta energy: -45.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -388.742900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.742900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.742900 (E_RNA)
where:
Base-Base interactions energy: -243.307
where: short stacking energy: -118.244
Base-Backbone interact. energy: 1.285
local terms energy: -146.721055
where:
bonds (distance) C4'-P energy: -32.215
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -37.389
flat angles P-C4'-P energy: -24.540
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -265.204167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.204167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.204167 (E_RNA)
where:
Base-Base interactions energy: -142.699
where: short stacking energy: -81.705
Base-Backbone interact. energy: -0.301
local terms energy: -122.203477
where:
bonds (distance) C4'-P energy: -24.636
bonds (distance) P-C4' energy: -33.809
flat angles C4'-P-C4' energy: -35.976
flat angles P-C4'-P energy: -19.575
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -193.659866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.659866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.659866 (E_RNA)
where:
Base-Base interactions energy: -89.592
where: short stacking energy: -55.673
Base-Backbone interact. energy: 0.665
local terms energy: -104.733102
where:
bonds (distance) C4'-P energy: -23.418
bonds (distance) P-C4' energy: -40.100
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: 5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -165.100026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.100026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.100026 (E_RNA)
where:
Base-Base interactions energy: -56.785
where: short stacking energy: -46.254
Base-Backbone interact. energy: -0.371
local terms energy: -107.943462
where:
bonds (distance) C4'-P energy: -26.217
bonds (distance) P-C4' energy: -31.565
flat angles C4'-P-C4' energy: -28.643
flat angles P-C4'-P energy: -21.287
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: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -148.843796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.843796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.843796 (E_RNA)
where:
Base-Base interactions energy: -49.279
where: short stacking energy: -40.217
Base-Backbone interact. energy: -0.568
local terms energy: -98.997069
where:
bonds (distance) C4'-P energy: -30.912
bonds (distance) P-C4' energy: -30.356
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: 5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -141.676124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.676124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.676124 (E_RNA)
where:
Base-Base interactions energy: -44.799
where: short stacking energy: -29.947
Base-Backbone interact. energy: -0.288
local terms energy: -96.589569
where:
bonds (distance) C4'-P energy: -31.984
bonds (distance) P-C4' energy: -27.082
flat angles C4'-P-C4' energy: -29.289
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: 11.051
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: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -539.967920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.967920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.967920 (E_RNA)
where:
Base-Base interactions energy: -351.045
where: short stacking energy: -165.190
Base-Backbone interact. energy: 1.055
local terms energy: -189.977938
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -37.027
flat angles C4'-P-C4' energy: -36.778
flat angles P-C4'-P energy: -25.330
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: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -519.693581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.693581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.693581 (E_RNA)
where:
Base-Base interactions energy: -348.063
where: short stacking energy: -147.984
Base-Backbone interact. energy: -1.051
local terms energy: -170.578963
where:
bonds (distance) C4'-P energy: -34.899
bonds (distance) P-C4' energy: -35.936
flat angles C4'-P-C4' energy: -32.358
flat angles P-C4'-P energy: -24.835
tors. eta vs tors. theta energy: -42.551
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: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -481.603684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.603684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.603684 (E_RNA)
where:
Base-Base interactions energy: -311.571
where: short stacking energy: -130.031
Base-Backbone interact. energy: -0.488
local terms energy: -169.544308
where:
bonds (distance) C4'-P energy: -36.214
bonds (distance) P-C4' energy: -34.741
flat angles C4'-P-C4' energy: -31.547
flat angles P-C4'-P energy: -22.312
tors. eta vs tors. theta energy: -44.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -440.503008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.503008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.503008 (E_RNA)
where:
Base-Base interactions energy: -286.087
where: short stacking energy: -126.443
Base-Backbone interact. energy: -0.665
local terms energy: -153.751007
where:
bonds (distance) C4'-P energy: -28.392
bonds (distance) P-C4' energy: -35.628
flat angles C4'-P-C4' energy: -28.543
flat angles P-C4'-P energy: -28.220
tors. eta vs tors. theta energy: -32.967
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: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -366.352034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.352034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.352034 (E_RNA)
where:
Base-Base interactions energy: -236.305
where: short stacking energy: -111.569
Base-Backbone interact. energy: 0.054
local terms energy: -130.101215
where:
bonds (distance) C4'-P energy: -29.297
bonds (distance) P-C4' energy: -25.721
flat angles C4'-P-C4' energy: -36.783
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -25.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -240.478855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.478855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.478855 (E_RNA)
where:
Base-Base interactions energy: -119.539
where: short stacking energy: -81.351
Base-Backbone interact. energy: -0.397
local terms energy: -120.542717
where:
bonds (distance) C4'-P energy: -32.343
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -28.868
flat angles P-C4'-P energy: -23.831
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -216.327693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.327693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.327693 (E_RNA)
where:
Base-Base interactions energy: -92.793
where: short stacking energy: -61.809
Base-Backbone interact. energy: -1.050
local terms energy: -122.484468
where:
bonds (distance) C4'-P energy: -33.444
bonds (distance) P-C4' energy: -38.580
flat angles C4'-P-C4' energy: -28.168
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -169.447009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.447009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.447009 (E_RNA)
where:
Base-Base interactions energy: -52.060
where: short stacking energy: -50.233
Base-Backbone interact. energy: -0.610
local terms energy: -116.776288
where:
bonds (distance) C4'-P energy: -27.582
bonds (distance) P-C4' energy: -37.583
flat angles C4'-P-C4' energy: -26.345
flat angles P-C4'-P energy: -23.295
tors. eta vs tors. theta energy: -1.972
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: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -144.884036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.884036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.884036 (E_RNA)
where:
Base-Base interactions energy: -51.072
where: short stacking energy: -37.353
Base-Backbone interact. energy: -0.418
local terms energy: -93.394279
where:
bonds (distance) C4'-P energy: -25.821
bonds (distance) P-C4' energy: -29.898
flat angles C4'-P-C4' energy: -25.003
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: 7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -164.443996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.443996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.443996 (E_RNA)
where:
Base-Base interactions energy: -69.843
where: short stacking energy: -44.228
Base-Backbone interact. energy: -0.403
local terms energy: -94.197910
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -34.591
flat angles C4'-P-C4' energy: -33.917
flat angles P-C4'-P energy: -3.696
tors. eta vs tors. theta energy: 2.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -529.881057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.881057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.881057 (E_RNA)
where:
Base-Base interactions energy: -340.614
where: short stacking energy: -167.519
Base-Backbone interact. energy: -0.978
local terms energy: -188.288947
where:
bonds (distance) C4'-P energy: -30.763
bonds (distance) P-C4' energy: -34.510
flat angles C4'-P-C4' energy: -42.047
flat angles P-C4'-P energy: -28.978
tors. eta vs tors. theta energy: -51.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -520.548584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.548584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.548584 (E_RNA)
where:
Base-Base interactions energy: -344.548
where: short stacking energy: -147.031
Base-Backbone interact. energy: -1.479
local terms energy: -174.522134
where:
bonds (distance) C4'-P energy: -37.154
bonds (distance) P-C4' energy: -26.132
flat angles C4'-P-C4' energy: -40.346
flat angles P-C4'-P energy: -31.989
tors. eta vs tors. theta energy: -38.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -458.996379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.996379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.996379 (E_RNA)
where:
Base-Base interactions energy: -294.542
where: short stacking energy: -148.852
Base-Backbone interact. energy: -0.392
local terms energy: -164.062287
where:
bonds (distance) C4'-P energy: -28.023
bonds (distance) P-C4' energy: -32.076
flat angles C4'-P-C4' energy: -37.631
flat angles P-C4'-P energy: -21.798
tors. eta vs tors. theta energy: -44.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -466.548297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.548297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.548297 (E_RNA)
where:
Base-Base interactions energy: -299.067
where: short stacking energy: -136.769
Base-Backbone interact. energy: -0.883
local terms energy: -166.597670
where:
bonds (distance) C4'-P energy: -30.745
bonds (distance) P-C4' energy: -32.828
flat angles C4'-P-C4' energy: -35.210
flat angles P-C4'-P energy: -26.302
tors. eta vs tors. theta energy: -41.512
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: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -377.681763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.681763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.681763 (E_RNA)
where:
Base-Base interactions energy: -233.712
where: short stacking energy: -100.759
Base-Backbone interact. energy: -0.529
local terms energy: -143.440745
where:
bonds (distance) C4'-P energy: -31.499
bonds (distance) P-C4' energy: -37.070
flat angles C4'-P-C4' energy: -29.240
flat angles P-C4'-P energy: -25.345
tors. eta vs tors. theta energy: -20.287
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: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -179.531567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.531567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.531567 (E_RNA)
where:
Base-Base interactions energy: -57.283
where: short stacking energy: -54.321
Base-Backbone interact. energy: -1.055
local terms energy: -121.193554
where:
bonds (distance) C4'-P energy: -32.360
bonds (distance) P-C4' energy: -30.824
flat angles C4'-P-C4' energy: -32.683
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -206.822351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.822351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.822351 (E_RNA)
where:
Base-Base interactions energy: -76.681
where: short stacking energy: -45.709
Base-Backbone interact. energy: -1.586
local terms energy: -128.555761
where:
bonds (distance) C4'-P energy: -32.708
bonds (distance) P-C4' energy: -37.105
flat angles C4'-P-C4' energy: -29.906
flat angles P-C4'-P energy: -26.635
tors. eta vs tors. theta energy: -2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -160.375610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.375610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.375610 (E_RNA)
where:
Base-Base interactions energy: -50.004
where: short stacking energy: -38.322
Base-Backbone interact. energy: 0.131
local terms energy: -110.502706
where:
bonds (distance) C4'-P energy: -34.454
bonds (distance) P-C4' energy: -39.053
flat angles C4'-P-C4' energy: -24.052
flat angles P-C4'-P energy: -19.692
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: 158
Temperature: 1.300000
Total energy: -150.057865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.057865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.057865 (E_RNA)
where:
Base-Base interactions energy: -50.341
where: short stacking energy: -46.556
Base-Backbone interact. energy: -0.810
local terms energy: -98.907287
where:
bonds (distance) C4'-P energy: -29.642
bonds (distance) P-C4' energy: -29.399
flat angles C4'-P-C4' energy: -25.137
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: 1.382
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: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -155.075440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.075440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.075440 (E_RNA)
where:
Base-Base interactions energy: -40.125
where: short stacking energy: -25.205
Base-Backbone interact. energy: -0.702
local terms energy: -114.247595
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -34.818
flat angles C4'-P-C4' energy: -30.116
flat angles P-C4'-P energy: -24.240
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: 6
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -529.844527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.844527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.844527 (E_RNA)
where:
Base-Base interactions energy: -338.799
where: short stacking energy: -167.229
Base-Backbone interact. energy: -0.097
local terms energy: -190.948692
where:
bonds (distance) C4'-P energy: -35.189
bonds (distance) P-C4' energy: -37.713
flat angles C4'-P-C4' energy: -40.542
flat angles P-C4'-P energy: -27.754
tors. eta vs tors. theta energy: -49.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -510.071681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.071681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.071681 (E_RNA)
where:
Base-Base interactions energy: -341.893
where: short stacking energy: -156.085
Base-Backbone interact. energy: -0.582
local terms energy: -167.596643
where:
bonds (distance) C4'-P energy: -31.453
bonds (distance) P-C4' energy: -31.193
flat angles C4'-P-C4' energy: -37.128
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -40.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -451.092478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.092478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.092478 (E_RNA)
where:
Base-Base interactions energy: -283.500
where: short stacking energy: -133.575
Base-Backbone interact. energy: -0.583
local terms energy: -167.009120
where:
bonds (distance) C4'-P energy: -33.528
bonds (distance) P-C4' energy: -33.148
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -25.872
tors. eta vs tors. theta energy: -42.322
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: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -490.623370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.623370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.623370 (E_RNA)
where:
Base-Base interactions energy: -304.060
where: short stacking energy: -151.311
Base-Backbone interact. energy: -0.120
local terms energy: -186.443361
where:
bonds (distance) C4'-P energy: -31.773
bonds (distance) P-C4' energy: -31.233
flat angles C4'-P-C4' energy: -40.806
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: -58.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -403.818928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.818928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.818928 (E_RNA)
where:
Base-Base interactions energy: -261.594
where: short stacking energy: -129.923
Base-Backbone interact. energy: -0.078
local terms energy: -142.146542
where:
bonds (distance) C4'-P energy: -23.978
bonds (distance) P-C4' energy: -33.300
flat angles C4'-P-C4' energy: -30.470
flat angles P-C4'-P energy: -20.524
tors. eta vs tors. theta energy: -33.874
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: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -185.953501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.953501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.953501 (E_RNA)
where:
Base-Base interactions energy: -59.236
where: short stacking energy: -53.404
Base-Backbone interact. energy: -1.850
local terms energy: -124.867230
where:
bonds (distance) C4'-P energy: -31.025
bonds (distance) P-C4' energy: -33.745
flat angles C4'-P-C4' energy: -31.690
flat angles P-C4'-P energy: -23.887
tors. eta vs tors. theta energy: -4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -183.455320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.455320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.455320 (E_RNA)
where:
Base-Base interactions energy: -67.668
where: short stacking energy: -53.802
Base-Backbone interact. energy: 3.205
local terms energy: -118.992411
where:
bonds (distance) C4'-P energy: -29.260
bonds (distance) P-C4' energy: -33.611
flat angles C4'-P-C4' energy: -34.328
flat angles P-C4'-P energy: -23.279
tors. eta vs tors. theta energy: 1.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -179.665037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.665037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.665037 (E_RNA)
where:
Base-Base interactions energy: -71.680
where: short stacking energy: -57.235
Base-Backbone interact. energy: -0.718
local terms energy: -107.266540
where:
bonds (distance) C4'-P energy: -29.066
bonds (distance) P-C4' energy: -30.545
flat angles C4'-P-C4' energy: -30.018
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -179.536752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.536752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.536752 (E_RNA)
where:
Base-Base interactions energy: -61.681
where: short stacking energy: -45.047
Base-Backbone interact. energy: -0.222
local terms energy: -117.634285
where:
bonds (distance) C4'-P energy: -33.924
bonds (distance) P-C4' energy: -32.609
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -20.826
tors. eta vs tors. theta energy: -7.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -146.708513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.708513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.708513 (E_RNA)
where:
Base-Base interactions energy: -45.754
where: short stacking energy: -41.123
Base-Backbone interact. energy: -1.402
local terms energy: -99.552590
where:
bonds (distance) C4'-P energy: -36.851
bonds (distance) P-C4' energy: -24.298
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: 0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -531.035255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.035255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.035255 (E_RNA)
where:
Base-Base interactions energy: -346.764
where: short stacking energy: -152.796
Base-Backbone interact. energy: 0.514
local terms energy: -184.784696
where:
bonds (distance) C4'-P energy: -30.449
bonds (distance) P-C4' energy: -37.444
flat angles C4'-P-C4' energy: -39.530
flat angles P-C4'-P energy: -26.120
tors. eta vs tors. theta energy: -51.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -508.554284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.554284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.554284 (E_RNA)
where:
Base-Base interactions energy: -345.346
where: short stacking energy: -139.298
Base-Backbone interact. energy: -0.041
local terms energy: -163.167547
where:
bonds (distance) C4'-P energy: -36.613
bonds (distance) P-C4' energy: -36.247
flat angles C4'-P-C4' energy: -36.027
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -35.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -502.302119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.302119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.302119 (E_RNA)
where:
Base-Base interactions energy: -322.407
where: short stacking energy: -152.140
Base-Backbone interact. energy: 0.928
local terms energy: -180.822995
where:
bonds (distance) C4'-P energy: -32.755
bonds (distance) P-C4' energy: -33.804
flat angles C4'-P-C4' energy: -38.854
flat angles P-C4'-P energy: -21.720
tors. eta vs tors. theta energy: -53.690
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: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -459.087433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.087433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.087433 (E_RNA)
where:
Base-Base interactions energy: -301.010
where: short stacking energy: -128.063
Base-Backbone interact. energy: 0.302
local terms energy: -158.379127
where:
bonds (distance) C4'-P energy: -34.599
bonds (distance) P-C4' energy: -27.909
flat angles C4'-P-C4' energy: -38.275
flat angles P-C4'-P energy: -19.936
tors. eta vs tors. theta energy: -37.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -401.589595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.589595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.589595 (E_RNA)
where:
Base-Base interactions energy: -251.080
where: short stacking energy: -114.017
Base-Backbone interact. energy: -0.374
local terms energy: -150.136334
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -29.807
flat angles C4'-P-C4' energy: -32.103
flat angles P-C4'-P energy: -26.268
tors. eta vs tors. theta energy: -37.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -211.792091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.792091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.792091 (E_RNA)
where:
Base-Base interactions energy: -96.371
where: short stacking energy: -57.584
Base-Backbone interact. energy: 0.435
local terms energy: -115.856563
where:
bonds (distance) C4'-P energy: -36.155
bonds (distance) P-C4' energy: -24.459
flat angles C4'-P-C4' energy: -28.372
flat angles P-C4'-P energy: -21.842
tors. eta vs tors. theta energy: -5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -177.045257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.045257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.045257 (E_RNA)
where:
Base-Base interactions energy: -65.803
where: short stacking energy: -62.632
Base-Backbone interact. energy: -0.501
local terms energy: -110.741478
where:
bonds (distance) C4'-P energy: -31.703
bonds (distance) P-C4' energy: -32.090
flat angles C4'-P-C4' energy: -30.015
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -5.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -169.050211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.050211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.050211 (E_RNA)
where:
Base-Base interactions energy: -54.829
where: short stacking energy: -47.548
Base-Backbone interact. energy: -0.664
local terms energy: -113.558015
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -36.977
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -5.510
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: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -151.180476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.180476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.180476 (E_RNA)
where:
Base-Base interactions energy: -56.610
where: short stacking energy: -41.759
Base-Backbone interact. energy: 0.073
local terms energy: -94.643365
where:
bonds (distance) C4'-P energy: -28.863
bonds (distance) P-C4' energy: -36.747
flat angles C4'-P-C4' energy: -31.226
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: 16.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -159.875313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.875313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.875313 (E_RNA)
where:
Base-Base interactions energy: -61.005
where: short stacking energy: -45.015
Base-Backbone interact. energy: -2.295
local terms energy: -96.575072
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -28.947
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -524.614640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.614640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.614640 (E_RNA)
where:
Base-Base interactions energy: -340.810
where: short stacking energy: -159.095
Base-Backbone interact. energy: -0.242
local terms energy: -183.562814
where:
bonds (distance) C4'-P energy: -37.099
bonds (distance) P-C4' energy: -32.619
flat angles C4'-P-C4' energy: -36.901
flat angles P-C4'-P energy: -23.859
tors. eta vs tors. theta energy: -53.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -513.781755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.781755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.781755 (E_RNA)
where:
Base-Base interactions energy: -326.465
where: short stacking energy: -161.858
Base-Backbone interact. energy: -0.435
local terms energy: -186.880920
where:
bonds (distance) C4'-P energy: -41.312
bonds (distance) P-C4' energy: -33.315
flat angles C4'-P-C4' energy: -31.900
flat angles P-C4'-P energy: -27.495
tors. eta vs tors. theta energy: -52.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -501.393898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.393898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.393898 (E_RNA)
where:
Base-Base interactions energy: -337.928
where: short stacking energy: -148.605
Base-Backbone interact. energy: -0.534
local terms energy: -162.931682
where:
bonds (distance) C4'-P energy: -33.142
bonds (distance) P-C4' energy: -34.741
flat angles C4'-P-C4' energy: -33.648
flat angles P-C4'-P energy: -19.935
tors. eta vs tors. theta energy: -41.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -386.415401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.415401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.415401 (E_RNA)
where:
Base-Base interactions energy: -234.703
where: short stacking energy: -110.002
Base-Backbone interact. energy: -1.018
local terms energy: -150.694714
where:
bonds (distance) C4'-P energy: -27.582
bonds (distance) P-C4' energy: -36.687
flat angles C4'-P-C4' energy: -33.934
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -27.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -446.624629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.624629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.624629 (E_RNA)
where:
Base-Base interactions energy: -286.897
where: short stacking energy: -124.353
Base-Backbone interact. energy: -0.504
local terms energy: -159.223661
where:
bonds (distance) C4'-P energy: -29.262
bonds (distance) P-C4' energy: -32.694
flat angles C4'-P-C4' energy: -35.053
flat angles P-C4'-P energy: -23.112
tors. eta vs tors. theta energy: -39.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -192.662916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.662916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.662916 (E_RNA)
where:
Base-Base interactions energy: -72.482
where: short stacking energy: -55.748
Base-Backbone interact. energy: -0.199
local terms energy: -119.982398
where:
bonds (distance) C4'-P energy: -32.847
bonds (distance) P-C4' energy: -34.586
flat angles C4'-P-C4' energy: -31.956
flat angles P-C4'-P energy: -22.261
tors. eta vs tors. theta energy: 1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -174.246401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.246401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.246401 (E_RNA)
where:
Base-Base interactions energy: -60.510
where: short stacking energy: -49.322
Base-Backbone interact. energy: -0.412
local terms energy: -113.324450
where:
bonds (distance) C4'-P energy: -31.309
bonds (distance) P-C4' energy: -31.649
flat angles C4'-P-C4' energy: -31.917
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -1.891
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: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -162.701539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.701539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.701539 (E_RNA)
where:
Base-Base interactions energy: -54.183
where: short stacking energy: -51.797
Base-Backbone interact. energy: -0.510
local terms energy: -108.008780
where:
bonds (distance) C4'-P energy: -33.937
bonds (distance) P-C4' energy: -29.385
flat angles C4'-P-C4' energy: -28.062
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -159.981510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.981510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.981510 (E_RNA)
where:
Base-Base interactions energy: -50.056
where: short stacking energy: -49.973
Base-Backbone interact. energy: -0.495
local terms energy: -109.429936
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -28.364
flat angles C4'-P-C4' energy: -23.105
flat angles P-C4'-P energy: -26.526
tors. eta vs tors. theta energy: -8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -140.366260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.366260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.366260 (E_RNA)
where:
Base-Base interactions energy: -49.553
where: short stacking energy: -39.745
Base-Backbone interact. energy: 1.447
local terms energy: -92.260261
where:
bonds (distance) C4'-P energy: -33.854
bonds (distance) P-C4' energy: -35.636
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: 6.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -523.216150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.216150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.216150 (E_RNA)
where:
Base-Base interactions energy: -347.045
where: short stacking energy: -156.496
Base-Backbone interact. energy: -0.502
local terms energy: -175.669343
where:
bonds (distance) C4'-P energy: -29.632
bonds (distance) P-C4' energy: -30.751
flat angles C4'-P-C4' energy: -38.157
flat angles P-C4'-P energy: -25.178
tors. eta vs tors. theta energy: -51.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -541.296806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.296806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.296806 (E_RNA)
where:
Base-Base interactions energy: -343.002
where: short stacking energy: -165.060
Base-Backbone interact. energy: -0.019
local terms energy: -198.275918
where:
bonds (distance) C4'-P energy: -30.641
bonds (distance) P-C4' energy: -36.524
flat angles C4'-P-C4' energy: -43.087
flat angles P-C4'-P energy: -29.847
tors. eta vs tors. theta energy: -58.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -511.278524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.278524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.278524 (E_RNA)
where:
Base-Base interactions energy: -341.276
where: short stacking energy: -148.167
Base-Backbone interact. energy: -0.077
local terms energy: -169.925531
where:
bonds (distance) C4'-P energy: -35.300
bonds (distance) P-C4' energy: -34.227
flat angles C4'-P-C4' energy: -36.519
flat angles P-C4'-P energy: -23.502
tors. eta vs tors. theta energy: -40.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -414.891999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.891999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.891999 (E_RNA)
where:
Base-Base interactions energy: -277.609
where: short stacking energy: -115.624
Base-Backbone interact. energy: -0.888
local terms energy: -136.394957
where:
bonds (distance) C4'-P energy: -28.657
bonds (distance) P-C4' energy: -30.890
flat angles C4'-P-C4' energy: -31.207
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: -28.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -412.189847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.189847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.189847 (E_RNA)
where:
Base-Base interactions energy: -259.523
where: short stacking energy: -128.884
Base-Backbone interact. energy: 1.628
local terms energy: -154.294903
where:
bonds (distance) C4'-P energy: -31.322
bonds (distance) P-C4' energy: -26.658
flat angles C4'-P-C4' energy: -33.798
flat angles P-C4'-P energy: -25.566
tors. eta vs tors. theta energy: -36.952
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: 10
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -201.437122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.437122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.437122 (E_RNA)
where:
Base-Base interactions energy: -64.950
where: short stacking energy: -64.950
Base-Backbone interact. energy: -0.187
local terms energy: -136.300773
where:
bonds (distance) C4'-P energy: -36.786
bonds (distance) P-C4' energy: -36.838
flat angles C4'-P-C4' energy: -28.015
flat angles P-C4'-P energy: -26.454
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -205.937476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.937476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.937476 (E_RNA)
where:
Base-Base interactions energy: -93.615
where: short stacking energy: -56.225
Base-Backbone interact. energy: 3.111
local terms energy: -115.433426
where:
bonds (distance) C4'-P energy: -32.814
bonds (distance) P-C4' energy: -26.021
flat angles C4'-P-C4' energy: -31.901
flat angles P-C4'-P energy: -22.169
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -180.156552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.156552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.156552 (E_RNA)
where:
Base-Base interactions energy: -67.567
where: short stacking energy: -65.632
Base-Backbone interact. energy: -0.663
local terms energy: -111.926229
where:
bonds (distance) C4'-P energy: -23.454
bonds (distance) P-C4' energy: -30.751
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -152.281295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.281295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.281295 (E_RNA)
where:
Base-Base interactions energy: -65.531
where: short stacking energy: -40.602
Base-Backbone interact. energy: 1.128
local terms energy: -87.878291
where:
bonds (distance) C4'-P energy: -28.351
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: 3.131
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: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -142.365236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.365236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.365236 (E_RNA)
where:
Base-Base interactions energy: -44.407
where: short stacking energy: -38.886
Base-Backbone interact. energy: 0.657
local terms energy: -98.615581
where:
bonds (distance) C4'-P energy: -31.607
bonds (distance) P-C4' energy: -30.837
flat angles C4'-P-C4' energy: -24.620
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: 5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -535.280776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.280776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.280776 (E_RNA)
where:
Base-Base interactions energy: -352.603
where: short stacking energy: -160.846
Base-Backbone interact. energy: 2.285
local terms energy: -184.962324
where:
bonds (distance) C4'-P energy: -31.300
bonds (distance) P-C4' energy: -35.588
flat angles C4'-P-C4' energy: -41.489
flat angles P-C4'-P energy: -21.455
tors. eta vs tors. theta energy: -55.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -519.649690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.649690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.649690 (E_RNA)
where:
Base-Base interactions energy: -355.014
where: short stacking energy: -161.159
Base-Backbone interact. energy: 0.472
local terms energy: -165.107518
where:
bonds (distance) C4'-P energy: -25.897
bonds (distance) P-C4' energy: -31.586
flat angles C4'-P-C4' energy: -36.698
flat angles P-C4'-P energy: -24.431
tors. eta vs tors. theta energy: -46.495
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: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -510.877301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.877301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.877301 (E_RNA)
where:
Base-Base interactions energy: -328.948
where: short stacking energy: -150.170
Base-Backbone interact. energy: -0.550
local terms energy: -181.379084
where:
bonds (distance) C4'-P energy: -32.205
bonds (distance) P-C4' energy: -37.548
flat angles C4'-P-C4' energy: -40.417
flat angles P-C4'-P energy: -24.668
tors. eta vs tors. theta energy: -46.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -423.994839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.994839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.994839 (E_RNA)
where:
Base-Base interactions energy: -266.769
where: short stacking energy: -116.022
Base-Backbone interact. energy: 1.176
local terms energy: -158.401748
where:
bonds (distance) C4'-P energy: -34.291
bonds (distance) P-C4' energy: -34.976
flat angles C4'-P-C4' energy: -39.028
flat angles P-C4'-P energy: -21.264
tors. eta vs tors. theta energy: -28.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -387.150484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.150484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.150484 (E_RNA)
where:
Base-Base interactions energy: -248.050
where: short stacking energy: -115.850
Base-Backbone interact. energy: -0.174
local terms energy: -138.926284
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -28.530
flat angles C4'-P-C4' energy: -33.280
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -30.457
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: 6, replica: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -271.834084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.834084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.834084 (E_RNA)
where:
Base-Base interactions energy: -145.550
where: short stacking energy: -90.281
Base-Backbone interact. energy: -0.339
local terms energy: -125.945410
where:
bonds (distance) C4'-P energy: -30.877
bonds (distance) P-C4' energy: -38.246
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -189.517133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.517133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.517133 (E_RNA)
where:
Base-Base interactions energy: -84.409
where: short stacking energy: -51.370
Base-Backbone interact. energy: 3.156
local terms energy: -108.264062
where:
bonds (distance) C4'-P energy: -33.784
bonds (distance) P-C4' energy: -29.051
flat angles C4'-P-C4' energy: -29.370
flat angles P-C4'-P energy: -21.221
tors. eta vs tors. theta energy: 5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -183.204223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.204223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.204223 (E_RNA)
where:
Base-Base interactions energy: -58.085
where: short stacking energy: -53.103
Base-Backbone interact. energy: 0.231
local terms energy: -125.350395
where:
bonds (distance) C4'-P energy: -36.003
bonds (distance) P-C4' energy: -36.483
flat angles C4'-P-C4' energy: -32.520
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -143.513883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.513883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.513883 (E_RNA)
where:
Base-Base interactions energy: -45.706
where: short stacking energy: -23.754
Base-Backbone interact. energy: -0.662
local terms energy: -97.146441
where:
bonds (distance) C4'-P energy: -32.409
bonds (distance) P-C4' energy: -30.248
flat angles C4'-P-C4' energy: -26.893
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: 0.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -154.980927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.980927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.980927 (E_RNA)
where:
Base-Base interactions energy: -58.232
where: short stacking energy: -43.542
Base-Backbone interact. energy: -1.248
local terms energy: -95.501163
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -28.966
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: 6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -537.378088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.378088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.378088 (E_RNA)
where:
Base-Base interactions energy: -352.000
where: short stacking energy: -163.179
Base-Backbone interact. energy: -0.214
local terms energy: -185.163399
where:
bonds (distance) C4'-P energy: -36.258
bonds (distance) P-C4' energy: -33.024
flat angles C4'-P-C4' energy: -37.446
flat angles P-C4'-P energy: -30.365
tors. eta vs tors. theta energy: -48.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -517.143964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.143964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.143964 (E_RNA)
where:
Base-Base interactions energy: -349.948
where: short stacking energy: -153.375
Base-Backbone interact. energy: -0.532
local terms energy: -166.663677
where:
bonds (distance) C4'-P energy: -31.182
bonds (distance) P-C4' energy: -33.373
flat angles C4'-P-C4' energy: -29.412
flat angles P-C4'-P energy: -28.516
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: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -503.540708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.540708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.540708 (E_RNA)
where:
Base-Base interactions energy: -323.872
where: short stacking energy: -164.134
Base-Backbone interact. energy: -0.629
local terms energy: -179.039771
where:
bonds (distance) C4'-P energy: -35.633
bonds (distance) P-C4' energy: -34.095
flat angles C4'-P-C4' energy: -32.812
flat angles P-C4'-P energy: -22.516
tors. eta vs tors. theta energy: -53.985
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: 8
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -390.362712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.362712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.362712 (E_RNA)
where:
Base-Base interactions energy: -243.533
where: short stacking energy: -109.858
Base-Backbone interact. energy: -0.279
local terms energy: -146.550722
where:
bonds (distance) C4'-P energy: -36.679
bonds (distance) P-C4' energy: -27.507
flat angles C4'-P-C4' energy: -30.309
flat angles P-C4'-P energy: -25.671
tors. eta vs tors. theta energy: -26.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -390.484336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.484336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.484336 (E_RNA)
where:
Base-Base interactions energy: -225.560
where: short stacking energy: -109.511
Base-Backbone interact. energy: 0.376
local terms energy: -165.300445
where:
bonds (distance) C4'-P energy: -36.327
bonds (distance) P-C4' energy: -36.454
flat angles C4'-P-C4' energy: -38.231
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -32.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -269.941379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.941379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.941379 (E_RNA)
where:
Base-Base interactions energy: -128.784
where: short stacking energy: -69.788
Base-Backbone interact. energy: 0.470
local terms energy: -141.626850
where:
bonds (distance) C4'-P energy: -31.014
bonds (distance) P-C4' energy: -31.339
flat angles C4'-P-C4' energy: -37.221
flat angles P-C4'-P energy: -21.940
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -189.030581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.030581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.030581 (E_RNA)
where:
Base-Base interactions energy: -85.865
where: short stacking energy: -54.889
Base-Backbone interact. energy: -0.879
local terms energy: -102.286047
where:
bonds (distance) C4'-P energy: -30.323
bonds (distance) P-C4' energy: -36.507
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -161.568651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.568651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.568651 (E_RNA)
where:
Base-Base interactions energy: -52.286
where: short stacking energy: -52.126
Base-Backbone interact. energy: -0.322
local terms energy: -108.960622
where:
bonds (distance) C4'-P energy: -34.262
bonds (distance) P-C4' energy: -26.318
flat angles C4'-P-C4' energy: -35.309
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -163.366954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.366954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.366954 (E_RNA)
where:
Base-Base interactions energy: -67.969
where: short stacking energy: -43.550
Base-Backbone interact. energy: 1.401
local terms energy: -96.798874
where:
bonds (distance) C4'-P energy: -27.856
bonds (distance) P-C4' energy: -35.557
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: 7.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -158.115094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.115094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.115094 (E_RNA)
where:
Base-Base interactions energy: -66.558
where: short stacking energy: -50.257
Base-Backbone interact. energy: 1.783
local terms energy: -93.340314
where:
bonds (distance) C4'-P energy: -32.993
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -26.007
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: 0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -542.717805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.717805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.717805 (E_RNA)
where:
Base-Base interactions energy: -365.243
where: short stacking energy: -147.375
Base-Backbone interact. energy: 0.181
local terms energy: -177.656357
where:
bonds (distance) C4'-P energy: -31.776
bonds (distance) P-C4' energy: -38.323
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -26.983
tors. eta vs tors. theta energy: -47.884
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: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -532.708074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.708074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.708074 (E_RNA)
where:
Base-Base interactions energy: -367.503
where: short stacking energy: -160.394
Base-Backbone interact. energy: -0.385
local terms energy: -164.819958
where:
bonds (distance) C4'-P energy: -35.118
bonds (distance) P-C4' energy: -28.535
flat angles C4'-P-C4' energy: -27.652
flat angles P-C4'-P energy: -24.159
tors. eta vs tors. theta energy: -49.355
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: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -511.154128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.154128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.154128 (E_RNA)
where:
Base-Base interactions energy: -329.111
where: short stacking energy: -162.356
Base-Backbone interact. energy: -0.047
local terms energy: -181.996506
where:
bonds (distance) C4'-P energy: -30.560
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -40.740
flat angles P-C4'-P energy: -27.656
tors. eta vs tors. theta energy: -51.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -418.742379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.742379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.742379 (E_RNA)
where:
Base-Base interactions energy: -254.170
where: short stacking energy: -112.556
Base-Backbone interact. energy: -0.969
local terms energy: -163.604055
where:
bonds (distance) C4'-P energy: -33.950
bonds (distance) P-C4' energy: -35.702
flat angles C4'-P-C4' energy: -44.520
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -32.848
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: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -394.437670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.437670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.437670 (E_RNA)
where:
Base-Base interactions energy: -238.757
where: short stacking energy: -108.633
Base-Backbone interact. energy: -0.291
local terms energy: -155.389876
where:
bonds (distance) C4'-P energy: -24.299
bonds (distance) P-C4' energy: -36.289
flat angles C4'-P-C4' energy: -38.496
flat angles P-C4'-P energy: -24.323
tors. eta vs tors. theta energy: -31.983
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: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -325.112289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.112289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.112289 (E_RNA)
where:
Base-Base interactions energy: -192.567
where: short stacking energy: -99.969
Base-Backbone interact. energy: -0.428
local terms energy: -132.117312
where:
bonds (distance) C4'-P energy: -26.678
bonds (distance) P-C4' energy: -32.812
flat angles C4'-P-C4' energy: -29.654
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -24.215
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: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -168.159360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.159360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.159360 (E_RNA)
where:
Base-Base interactions energy: -58.771
where: short stacking energy: -49.830
Base-Backbone interact. energy: 0.310
local terms energy: -109.697959
where:
bonds (distance) C4'-P energy: -26.637
bonds (distance) P-C4' energy: -33.853
flat angles C4'-P-C4' energy: -25.535
flat angles P-C4'-P energy: -23.538
tors. eta vs tors. theta energy: -0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -161.941014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.941014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.941014 (E_RNA)
where:
Base-Base interactions energy: -49.223
where: short stacking energy: -49.223
Base-Backbone interact. energy: 0.381
local terms energy: -113.099423
where:
bonds (distance) C4'-P energy: -37.066
bonds (distance) P-C4' energy: -31.208
flat angles C4'-P-C4' energy: -28.701
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: 2.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -157.440601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.440601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.440601 (E_RNA)
where:
Base-Base interactions energy: -54.582
where: short stacking energy: -47.576
Base-Backbone interact. energy: 0.372
local terms energy: -103.230758
where:
bonds (distance) C4'-P energy: -31.099
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -31.478
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -155.991225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.991225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.991225 (E_RNA)
where:
Base-Base interactions energy: -49.331
where: short stacking energy: -45.633
Base-Backbone interact. energy: -1.027
local terms energy: -105.633028
where:
bonds (distance) C4'-P energy: -31.648
bonds (distance) P-C4' energy: -35.288
flat angles C4'-P-C4' energy: -27.666
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: 1.096
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: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -546.768602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.768602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.768602 (E_RNA)
where:
Base-Base interactions energy: -351.739
where: short stacking energy: -170.423
Base-Backbone interact. energy: -1.079
local terms energy: -193.951039
where:
bonds (distance) C4'-P energy: -35.983
bonds (distance) P-C4' energy: -39.081
flat angles C4'-P-C4' energy: -36.419
flat angles P-C4'-P energy: -24.932
tors. eta vs tors. theta energy: -57.535
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: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -540.545899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.545899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.545899 (E_RNA)
where:
Base-Base interactions energy: -369.563
where: short stacking energy: -166.292
Base-Backbone interact. energy: -0.514
local terms energy: -170.469006
where:
bonds (distance) C4'-P energy: -35.759
bonds (distance) P-C4' energy: -28.218
flat angles C4'-P-C4' energy: -34.801
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: -47.277
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: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -499.179478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.179478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.179478 (E_RNA)
where:
Base-Base interactions energy: -314.337
where: short stacking energy: -151.089
Base-Backbone interact. energy: -0.076
local terms energy: -184.766708
where:
bonds (distance) C4'-P energy: -31.309
bonds (distance) P-C4' energy: -36.474
flat angles C4'-P-C4' energy: -36.390
flat angles P-C4'-P energy: -26.107
tors. eta vs tors. theta energy: -54.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -426.651780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.651780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.651780 (E_RNA)
where:
Base-Base interactions energy: -270.789
where: short stacking energy: -117.060
Base-Backbone interact. energy: -0.048
local terms energy: -155.814437
where:
bonds (distance) C4'-P energy: -34.762
bonds (distance) P-C4' energy: -34.066
flat angles C4'-P-C4' energy: -37.613
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -29.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -356.493477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.493477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.493477 (E_RNA)
where:
Base-Base interactions energy: -222.839
where: short stacking energy: -109.159
Base-Backbone interact. energy: -0.999
local terms energy: -132.655429
where:
bonds (distance) C4'-P energy: -27.751
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -30.936
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -34.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -387.134229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.134229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.134229 (E_RNA)
where:
Base-Base interactions energy: -233.644
where: short stacking energy: -115.225
Base-Backbone interact. energy: -0.232
local terms energy: -153.258017
where:
bonds (distance) C4'-P energy: -26.748
bonds (distance) P-C4' energy: -38.657
flat angles C4'-P-C4' energy: -29.168
flat angles P-C4'-P energy: -19.876
tors. eta vs tors. theta energy: -38.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -188.703101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.703101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.703101 (E_RNA)
where:
Base-Base interactions energy: -75.397
where: short stacking energy: -46.851
Base-Backbone interact. energy: 0.286
local terms energy: -113.591328
where:
bonds (distance) C4'-P energy: -27.905
bonds (distance) P-C4' energy: -37.485
flat angles C4'-P-C4' energy: -30.217
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -173.608827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.608827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.608827 (E_RNA)
where:
Base-Base interactions energy: -74.689
where: short stacking energy: -42.807
Base-Backbone interact. energy: -0.763
local terms energy: -98.157242
where:
bonds (distance) C4'-P energy: -31.006
bonds (distance) P-C4' energy: -30.496
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: 2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -183.799454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.799454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.799454 (E_RNA)
where:
Base-Base interactions energy: -64.591
where: short stacking energy: -50.874
Base-Backbone interact. energy: -0.255
local terms energy: -118.953128
where:
bonds (distance) C4'-P energy: -26.764
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -33.522
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -8.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -138.584115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.584115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.584115 (E_RNA)
where:
Base-Base interactions energy: -51.846
where: short stacking energy: -35.772
Base-Backbone interact. energy: 1.030
local terms energy: -87.768888
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -37.776
flat angles C4'-P-C4' energy: -25.467
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: 5.279
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: 1, replica: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -539.841992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.841992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.841992 (E_RNA)
where:
Base-Base interactions energy: -342.229
where: short stacking energy: -163.693
Base-Backbone interact. energy: -0.621
local terms energy: -196.991955
where:
bonds (distance) C4'-P energy: -36.219
bonds (distance) P-C4' energy: -31.132
flat angles C4'-P-C4' energy: -44.117
flat angles P-C4'-P energy: -28.704
tors. eta vs tors. theta energy: -56.820
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: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -528.320022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.320022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.320022 (E_RNA)
where:
Base-Base interactions energy: -345.970
where: short stacking energy: -151.486
Base-Backbone interact. energy: -0.932
local terms energy: -181.418213
where:
bonds (distance) C4'-P energy: -35.504
bonds (distance) P-C4' energy: -40.217
flat angles C4'-P-C4' energy: -38.841
flat angles P-C4'-P energy: -22.493
tors. eta vs tors. theta energy: -44.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -481.501638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.501638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.501638 (E_RNA)
where:
Base-Base interactions energy: -303.051
where: short stacking energy: -150.254
Base-Backbone interact. energy: -0.402
local terms energy: -178.048621
where:
bonds (distance) C4'-P energy: -30.309
bonds (distance) P-C4' energy: -33.900
flat angles C4'-P-C4' energy: -40.614
flat angles P-C4'-P energy: -24.079
tors. eta vs tors. theta energy: -49.146
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: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -382.069427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.069427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.069427 (E_RNA)
where:
Base-Base interactions energy: -244.249
where: short stacking energy: -99.859
Base-Backbone interact. energy: 6.044
local terms energy: -143.863844
where:
bonds (distance) C4'-P energy: -33.420
bonds (distance) P-C4' energy: -27.897
flat angles C4'-P-C4' energy: -33.212
flat angles P-C4'-P energy: -20.689
tors. eta vs tors. theta energy: -28.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -342.082138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.082138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.082138 (E_RNA)
where:
Base-Base interactions energy: -199.291
where: short stacking energy: -100.058
Base-Backbone interact. energy: -0.414
local terms energy: -142.376851
where:
bonds (distance) C4'-P energy: -28.825
bonds (distance) P-C4' energy: -34.834
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -22.674
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: 167
Temperature: 1.150000
Total energy: -380.162663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.162663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.162663 (E_RNA)
where:
Base-Base interactions energy: -231.146
where: short stacking energy: -118.441
Base-Backbone interact. energy: 1.862
local terms energy: -150.878172
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -34.480
flat angles P-C4'-P energy: -22.042
tors. eta vs tors. theta energy: -35.697
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: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -182.360229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.360229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.360229 (E_RNA)
where:
Base-Base interactions energy: -62.379
where: short stacking energy: -47.998
Base-Backbone interact. energy: -0.837
local terms energy: -119.143587
where:
bonds (distance) C4'-P energy: -32.723
bonds (distance) P-C4' energy: -33.136
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -20.993
tors. eta vs tors. theta energy: -15.089
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: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -167.729097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.729097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.729097 (E_RNA)
where:
Base-Base interactions energy: -59.921
where: short stacking energy: -51.836
Base-Backbone interact. energy: 2.980
local terms energy: -110.787640
where:
bonds (distance) C4'-P energy: -29.082
bonds (distance) P-C4' energy: -27.073
flat angles C4'-P-C4' energy: -31.945
flat angles P-C4'-P energy: -25.474
tors. eta vs tors. theta energy: 2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -181.961854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.961854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.961854 (E_RNA)
where:
Base-Base interactions energy: -74.899
where: short stacking energy: -54.033
Base-Backbone interact. energy: -0.288
local terms energy: -106.774600
where:
bonds (distance) C4'-P energy: -34.000
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -27.070
flat angles P-C4'-P energy: -18.819
tors. eta vs tors. theta energy: -7.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -147.628351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.628351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.628351 (E_RNA)
where:
Base-Base interactions energy: -45.226
where: short stacking energy: -36.728
Base-Backbone interact. energy: -0.417
local terms energy: -101.985158
where:
bonds (distance) C4'-P energy: -27.677
bonds (distance) P-C4' energy: -42.738
flat angles C4'-P-C4' energy: -21.839
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: 5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -544.729650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.729650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.729650 (E_RNA)
where:
Base-Base interactions energy: -349.245
where: short stacking energy: -171.353
Base-Backbone interact. energy: -0.755
local terms energy: -194.729073
where:
bonds (distance) C4'-P energy: -34.545
bonds (distance) P-C4' energy: -36.834
flat angles C4'-P-C4' energy: -35.532
flat angles P-C4'-P energy: -30.347
tors. eta vs tors. theta energy: -57.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -533.366559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.366559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.366559 (E_RNA)
where:
Base-Base interactions energy: -360.898
where: short stacking energy: -162.697
Base-Backbone interact. energy: 2.604
local terms energy: -175.073013
where:
bonds (distance) C4'-P energy: -27.033
bonds (distance) P-C4' energy: -33.680
flat angles C4'-P-C4' energy: -40.343
flat angles P-C4'-P energy: -26.419
tors. eta vs tors. theta energy: -47.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -502.273678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.273678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.273678 (E_RNA)
where:
Base-Base interactions energy: -314.089
where: short stacking energy: -151.203
Base-Backbone interact. energy: -0.148
local terms energy: -188.036096
where:
bonds (distance) C4'-P energy: -32.215
bonds (distance) P-C4' energy: -41.569
flat angles C4'-P-C4' energy: -36.991
flat angles P-C4'-P energy: -28.184
tors. eta vs tors. theta energy: -49.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -381.831103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.831103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.831103 (E_RNA)
where:
Base-Base interactions energy: -237.422
where: short stacking energy: -108.713
Base-Backbone interact. energy: -0.975
local terms energy: -143.434375
where:
bonds (distance) C4'-P energy: -37.991
bonds (distance) P-C4' energy: -27.074
flat angles C4'-P-C4' energy: -31.705
flat angles P-C4'-P energy: -21.284
tors. eta vs tors. theta energy: -25.380
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: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -415.640703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.640703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.640703 (E_RNA)
where:
Base-Base interactions energy: -266.511
where: short stacking energy: -114.789
Base-Backbone interact. energy: -0.345
local terms energy: -148.784307
where:
bonds (distance) C4'-P energy: -34.856
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -33.331
flat angles P-C4'-P energy: -23.191
tors. eta vs tors. theta energy: -33.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -323.309752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.309752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.309752 (E_RNA)
where:
Base-Base interactions energy: -187.002
where: short stacking energy: -80.810
Base-Backbone interact. energy: 1.846
local terms energy: -138.154064
where:
bonds (distance) C4'-P energy: -26.574
bonds (distance) P-C4' energy: -31.584
flat angles C4'-P-C4' energy: -41.118
flat angles P-C4'-P energy: -23.705
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -166.096327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.096327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.096327 (E_RNA)
where:
Base-Base interactions energy: -40.632
where: short stacking energy: -40.257
Base-Backbone interact. energy: -0.376
local terms energy: -125.087584
where:
bonds (distance) C4'-P energy: -30.247
bonds (distance) P-C4' energy: -31.969
flat angles C4'-P-C4' energy: -34.903
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -210.620761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.620761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.620761 (E_RNA)
where:
Base-Base interactions energy: -94.731
where: short stacking energy: -55.863
Base-Backbone interact. energy: -2.269
local terms energy: -113.620343
where:
bonds (distance) C4'-P energy: -34.086
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -25.819
flat angles P-C4'-P energy: -20.810
tors. eta vs tors. theta energy: 3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -159.333225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.333225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.333225 (E_RNA)
where:
Base-Base interactions energy: -51.698
where: short stacking energy: -49.234
Base-Backbone interact. energy: -1.666
local terms energy: -105.969388
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -40.289
flat angles C4'-P-C4' energy: -25.660
flat angles P-C4'-P energy: -14.551
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: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -143.340154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.340154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.340154 (E_RNA)
where:
Base-Base interactions energy: -50.610
where: short stacking energy: -37.506
Base-Backbone interact. energy: -1.262
local terms energy: -91.467711
where:
bonds (distance) C4'-P energy: -35.175
bonds (distance) P-C4' energy: -26.575
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: 1.672
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: 6
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -547.896714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.896714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.896714 (E_RNA)
where:
Base-Base interactions energy: -361.376
where: short stacking energy: -173.733
Base-Backbone interact. energy: -0.449
local terms energy: -186.071652
where:
bonds (distance) C4'-P energy: -38.834
bonds (distance) P-C4' energy: -31.585
flat angles C4'-P-C4' energy: -38.767
flat angles P-C4'-P energy: -21.054
tors. eta vs tors. theta energy: -55.832
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: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -540.713857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.713857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.713857 (E_RNA)
where:
Base-Base interactions energy: -363.256
where: short stacking energy: -148.605
Base-Backbone interact. energy: 1.875
local terms energy: -179.333061
where:
bonds (distance) C4'-P energy: -36.584
bonds (distance) P-C4' energy: -31.417
flat angles C4'-P-C4' energy: -39.273
flat angles P-C4'-P energy: -24.678
tors. eta vs tors. theta energy: -47.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -476.995196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.995196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.995196 (E_RNA)
where:
Base-Base interactions energy: -299.355
where: short stacking energy: -142.105
Base-Backbone interact. energy: -0.812
local terms energy: -176.828040
where:
bonds (distance) C4'-P energy: -37.066
bonds (distance) P-C4' energy: -37.350
flat angles C4'-P-C4' energy: -35.662
flat angles P-C4'-P energy: -23.028
tors. eta vs tors. theta energy: -43.722
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: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -433.540315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.540315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.540315 (E_RNA)
where:
Base-Base interactions energy: -260.828
where: short stacking energy: -129.157
Base-Backbone interact. energy: -1.088
local terms energy: -171.624374
where:
bonds (distance) C4'-P energy: -31.146
bonds (distance) P-C4' energy: -38.642
flat angles C4'-P-C4' energy: -35.330
flat angles P-C4'-P energy: -27.698
tors. eta vs tors. theta energy: -38.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -388.214590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.214590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.214590 (E_RNA)
where:
Base-Base interactions energy: -239.501
where: short stacking energy: -110.040
Base-Backbone interact. energy: 2.351
local terms energy: -151.065537
where:
bonds (distance) C4'-P energy: -24.734
bonds (distance) P-C4' energy: -39.908
flat angles C4'-P-C4' energy: -34.598
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -30.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -320.490949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.490949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.490949 (E_RNA)
where:
Base-Base interactions energy: -196.489
where: short stacking energy: -95.007
Base-Backbone interact. energy: -0.660
local terms energy: -123.341574
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -33.267
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -20.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -168.828774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.828774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.828774 (E_RNA)
where:
Base-Base interactions energy: -58.085
where: short stacking energy: -46.802
Base-Backbone interact. energy: -0.417
local terms energy: -110.326550
where:
bonds (distance) C4'-P energy: -27.276
bonds (distance) P-C4' energy: -30.127
flat angles C4'-P-C4' energy: -29.576
flat angles P-C4'-P energy: -19.408
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -169.711557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.711557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.711557 (E_RNA)
where:
Base-Base interactions energy: -66.566
where: short stacking energy: -55.602
Base-Backbone interact. energy: -1.234
local terms energy: -101.911727
where:
bonds (distance) C4'-P energy: -31.995
bonds (distance) P-C4' energy: -21.998
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -19.979
tors. eta vs tors. theta energy: -5.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -162.271539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.271539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.271539 (E_RNA)
where:
Base-Base interactions energy: -53.289
where: short stacking energy: -50.284
Base-Backbone interact. energy: 2.901
local terms energy: -111.883638
where:
bonds (distance) C4'-P energy: -28.096
bonds (distance) P-C4' energy: -35.136
flat angles C4'-P-C4' energy: -25.134
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -10.118
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: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -171.609132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.609132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.609132 (E_RNA)
where:
Base-Base interactions energy: -83.702
where: short stacking energy: -33.849
Base-Backbone interact. energy: 0.974
local terms energy: -88.881093
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -24.967
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: 2.229
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: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -551.247356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.247356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.247356 (E_RNA)
where:
Base-Base interactions energy: -359.564
where: short stacking energy: -161.944
Base-Backbone interact. energy: -1.472
local terms energy: -190.211496
where:
bonds (distance) C4'-P energy: -36.670
bonds (distance) P-C4' energy: -37.731
flat angles C4'-P-C4' energy: -38.429
flat angles P-C4'-P energy: -28.238
tors. eta vs tors. theta energy: -49.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -524.823727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.823727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.823727 (E_RNA)
where:
Base-Base interactions energy: -333.994
where: short stacking energy: -160.690
Base-Backbone interact. energy: -0.809
local terms energy: -190.021024
where:
bonds (distance) C4'-P energy: -28.936
bonds (distance) P-C4' energy: -37.928
flat angles C4'-P-C4' energy: -38.902
flat angles P-C4'-P energy: -34.329
tors. eta vs tors. theta energy: -49.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -489.225812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.225812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.225812 (E_RNA)
where:
Base-Base interactions energy: -299.246
where: short stacking energy: -141.081
Base-Backbone interact. energy: -0.484
local terms energy: -189.496165
where:
bonds (distance) C4'-P energy: -33.547
bonds (distance) P-C4' energy: -41.269
flat angles C4'-P-C4' energy: -36.611
flat angles P-C4'-P energy: -32.681
tors. eta vs tors. theta energy: -45.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -418.514587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.514587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.514587 (E_RNA)
where:
Base-Base interactions energy: -275.553
where: short stacking energy: -136.458
Base-Backbone interact. energy: 2.377
local terms energy: -145.338948
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -32.410
flat angles C4'-P-C4' energy: -26.955
flat angles P-C4'-P energy: -23.988
tors. eta vs tors. theta energy: -35.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -349.323380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.323380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.323380 (E_RNA)
where:
Base-Base interactions energy: -194.908
where: short stacking energy: -85.304
Base-Backbone interact. energy: -0.952
local terms energy: -153.463561
where:
bonds (distance) C4'-P energy: -38.611
bonds (distance) P-C4' energy: -24.951
flat angles C4'-P-C4' energy: -36.116
flat angles P-C4'-P energy: -21.270
tors. eta vs tors. theta energy: -32.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -361.066958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.066958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.066958 (E_RNA)
where:
Base-Base interactions energy: -221.816
where: short stacking energy: -93.419
Base-Backbone interact. energy: -0.115
local terms energy: -139.135908
where:
bonds (distance) C4'-P energy: -30.455
bonds (distance) P-C4' energy: -32.983
flat angles C4'-P-C4' energy: -30.640
flat angles P-C4'-P energy: -21.268
tors. eta vs tors. theta energy: -23.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -178.495807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.495807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.495807 (E_RNA)
where:
Base-Base interactions energy: -70.904
where: short stacking energy: -50.536
Base-Backbone interact. energy: -1.097
local terms energy: -106.494532
where:
bonds (distance) C4'-P energy: -23.707
bonds (distance) P-C4' energy: -39.707
flat angles C4'-P-C4' energy: -27.493
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -2.735
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: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -157.853084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.853084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.853084 (E_RNA)
where:
Base-Base interactions energy: -51.586
where: short stacking energy: -48.880
Base-Backbone interact. energy: 2.176
local terms energy: -108.443967
where:
bonds (distance) C4'-P energy: -35.394
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -32.395
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -159.723485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.723485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.723485 (E_RNA)
where:
Base-Base interactions energy: -56.575
where: short stacking energy: -47.712
Base-Backbone interact. energy: 2.058
local terms energy: -105.205787
where:
bonds (distance) C4'-P energy: -32.363
bonds (distance) P-C4' energy: -34.780
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -21.450
tors. eta vs tors. theta energy: 4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -152.282654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.282654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.282654 (E_RNA)
where:
Base-Base interactions energy: -52.287
where: short stacking energy: -46.747
Base-Backbone interact. energy: 0.716
local terms energy: -100.711966
where:
bonds (distance) C4'-P energy: -25.761
bonds (distance) P-C4' energy: -32.279
flat angles C4'-P-C4' energy: -25.694
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -542.840495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.840495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.840495 (E_RNA)
where:
Base-Base interactions energy: -360.315
where: short stacking energy: -153.227
Base-Backbone interact. energy: 0.206
local terms energy: -182.732031
where:
bonds (distance) C4'-P energy: -36.139
bonds (distance) P-C4' energy: -27.682
flat angles C4'-P-C4' energy: -37.782
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: -53.017
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: 6
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -519.233111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.233111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.233111 (E_RNA)
where:
Base-Base interactions energy: -344.675
where: short stacking energy: -148.868
Base-Backbone interact. energy: 0.869
local terms energy: -175.427499
where:
bonds (distance) C4'-P energy: -30.158
bonds (distance) P-C4' energy: -29.732
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -25.515
tors. eta vs tors. theta energy: -52.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -487.028706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.028706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.028706 (E_RNA)
where:
Base-Base interactions energy: -303.800
where: short stacking energy: -147.010
Base-Backbone interact. energy: -0.090
local terms energy: -183.138617
where:
bonds (distance) C4'-P energy: -36.333
bonds (distance) P-C4' energy: -31.054
flat angles C4'-P-C4' energy: -39.132
flat angles P-C4'-P energy: -24.629
tors. eta vs tors. theta energy: -51.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -415.160135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.160135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.160135 (E_RNA)
where:
Base-Base interactions energy: -268.145
where: short stacking energy: -114.402
Base-Backbone interact. energy: -1.332
local terms energy: -145.682530
where:
bonds (distance) C4'-P energy: -25.372
bonds (distance) P-C4' energy: -35.933
flat angles C4'-P-C4' energy: -34.890
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -31.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -336.950659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.950659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.950659 (E_RNA)
where:
Base-Base interactions energy: -182.407
where: short stacking energy: -88.284
Base-Backbone interact. energy: -0.244
local terms energy: -154.299520
where:
bonds (distance) C4'-P energy: -34.658
bonds (distance) P-C4' energy: -35.700
flat angles C4'-P-C4' energy: -36.445
flat angles P-C4'-P energy: -25.997
tors. eta vs tors. theta energy: -21.500
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: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -380.706814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.706814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.706814 (E_RNA)
where:
Base-Base interactions energy: -233.784
where: short stacking energy: -109.214
Base-Backbone interact. energy: 1.862
local terms energy: -148.784387
where:
bonds (distance) C4'-P energy: -31.662
bonds (distance) P-C4' energy: -36.585
flat angles C4'-P-C4' energy: -35.624
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -28.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -179.173460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.173460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.173460 (E_RNA)
where:
Base-Base interactions energy: -68.675
where: short stacking energy: -62.143
Base-Backbone interact. energy: -0.005
local terms energy: -110.493248
where:
bonds (distance) C4'-P energy: -32.223
bonds (distance) P-C4' energy: -33.768
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -161.164252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.164252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.164252 (E_RNA)
where:
Base-Base interactions energy: -46.648
where: short stacking energy: -44.002
Base-Backbone interact. energy: -0.034
local terms energy: -114.482116
where:
bonds (distance) C4'-P energy: -30.029
bonds (distance) P-C4' energy: -34.648
flat angles C4'-P-C4' energy: -27.553
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -151.988416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.988416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.988416 (E_RNA)
where:
Base-Base interactions energy: -52.223
where: short stacking energy: -39.950
Base-Backbone interact. energy: 1.254
local terms energy: -101.020173
where:
bonds (distance) C4'-P energy: -32.850
bonds (distance) P-C4' energy: -36.840
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: 1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -140.684261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.684261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.684261 (E_RNA)
where:
Base-Base interactions energy: -32.896
where: short stacking energy: -24.433
Base-Backbone interact. energy: -1.156
local terms energy: -106.631403
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -34.323
flat angles C4'-P-C4' energy: -32.240
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: 1.740
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: 6
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -525.047130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.047130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.047130 (E_RNA)
where:
Base-Base interactions energy: -339.108
where: short stacking energy: -156.554
Base-Backbone interact. energy: -0.172
local terms energy: -185.766911
where:
bonds (distance) C4'-P energy: -34.269
bonds (distance) P-C4' energy: -35.405
flat angles C4'-P-C4' energy: -43.938
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -52.804
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: 2, replica: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -520.654881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.654881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.654881 (E_RNA)
where:
Base-Base interactions energy: -343.164
where: short stacking energy: -150.648
Base-Backbone interact. energy: -1.349
local terms energy: -176.141258
where:
bonds (distance) C4'-P energy: -37.060
bonds (distance) P-C4' energy: -34.270
flat angles C4'-P-C4' energy: -34.370
flat angles P-C4'-P energy: -29.573
tors. eta vs tors. theta energy: -40.868
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: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -473.907349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.907349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.907349 (E_RNA)
where:
Base-Base interactions energy: -304.538
where: short stacking energy: -141.438
Base-Backbone interact. energy: -0.516
local terms energy: -168.854208
where:
bonds (distance) C4'-P energy: -37.069
bonds (distance) P-C4' energy: -30.498
flat angles C4'-P-C4' energy: -33.596
flat angles P-C4'-P energy: -24.566
tors. eta vs tors. theta energy: -43.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -410.103821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.103821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.103821 (E_RNA)
where:
Base-Base interactions energy: -257.007
where: short stacking energy: -121.631
Base-Backbone interact. energy: -0.298
local terms energy: -152.799086
where:
bonds (distance) C4'-P energy: -30.655
bonds (distance) P-C4' energy: -33.854
flat angles C4'-P-C4' energy: -31.942
flat angles P-C4'-P energy: -24.261
tors. eta vs tors. theta energy: -32.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -385.781435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.781435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.781435 (E_RNA)
where:
Base-Base interactions energy: -228.355
where: short stacking energy: -116.564
Base-Backbone interact. energy: -0.452
local terms energy: -156.974351
where:
bonds (distance) C4'-P energy: -32.220
bonds (distance) P-C4' energy: -30.940
flat angles C4'-P-C4' energy: -34.829
flat angles P-C4'-P energy: -21.795
tors. eta vs tors. theta energy: -37.190
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: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -308.535404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.535404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.535404 (E_RNA)
where:
Base-Base interactions energy: -170.951
where: short stacking energy: -74.931
Base-Backbone interact. energy: -1.025
local terms energy: -136.559416
where:
bonds (distance) C4'-P energy: -34.136
bonds (distance) P-C4' energy: -39.279
flat angles C4'-P-C4' energy: -27.783
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -15.920
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: 172
Temperature: 1.200000
Total energy: -214.274320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.274320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.274320 (E_RNA)
where:
Base-Base interactions energy: -95.511
where: short stacking energy: -57.451
Base-Backbone interact. energy: -0.497
local terms energy: -118.266282
where:
bonds (distance) C4'-P energy: -35.999
bonds (distance) P-C4' energy: -28.436
flat angles C4'-P-C4' energy: -24.007
flat angles P-C4'-P energy: -22.722
tors. eta vs tors. theta energy: -7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -162.775305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.775305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.775305 (E_RNA)
where:
Base-Base interactions energy: -60.283
where: short stacking energy: -47.982
Base-Backbone interact. energy: 0.839
local terms energy: -103.331150
where:
bonds (distance) C4'-P energy: -33.469
bonds (distance) P-C4' energy: -37.849
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: 7.514
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: 172
Temperature: 1.300000
Total energy: -185.357929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.357929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.357929 (E_RNA)
where:
Base-Base interactions energy: -74.303
where: short stacking energy: -43.529
Base-Backbone interact. energy: -0.421
local terms energy: -110.633864
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -34.878
flat angles C4'-P-C4' energy: -31.659
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: 2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -137.337601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.337601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.337601 (E_RNA)
where:
Base-Base interactions energy: -36.268
where: short stacking energy: -34.205
Base-Backbone interact. energy: -0.022
local terms energy: -101.047824
where:
bonds (distance) C4'-P energy: -22.639
bonds (distance) P-C4' energy: -33.494
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -24.276
tors. eta vs tors. theta energy: 1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -550.002555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.002555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.002555 (E_RNA)
where:
Base-Base interactions energy: -362.863
where: short stacking energy: -175.365
Base-Backbone interact. energy: -0.437
local terms energy: -186.702686
where:
bonds (distance) C4'-P energy: -36.307
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -40.137
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -56.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -511.670056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.670056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.670056 (E_RNA)
where:
Base-Base interactions energy: -339.621
where: short stacking energy: -155.793
Base-Backbone interact. energy: -0.386
local terms energy: -171.663047
where:
bonds (distance) C4'-P energy: -35.856
bonds (distance) P-C4' energy: -37.523
flat angles C4'-P-C4' energy: -34.881
flat angles P-C4'-P energy: -23.416
tors. eta vs tors. theta energy: -39.987
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: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -492.425313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.425313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.425313 (E_RNA)
where:
Base-Base interactions energy: -318.885
where: short stacking energy: -145.759
Base-Backbone interact. energy: -0.428
local terms energy: -173.112653
where:
bonds (distance) C4'-P energy: -36.892
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -31.643
flat angles P-C4'-P energy: -25.466
tors. eta vs tors. theta energy: -47.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -408.761054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.761054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.761054 (E_RNA)
where:
Base-Base interactions energy: -245.252
where: short stacking energy: -118.557
Base-Backbone interact. energy: -0.375
local terms energy: -163.133636
where:
bonds (distance) C4'-P energy: -31.491
bonds (distance) P-C4' energy: -39.241
flat angles C4'-P-C4' energy: -40.835
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -39.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -371.310172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.310172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.310172 (E_RNA)
where:
Base-Base interactions energy: -229.334
where: short stacking energy: -114.189
Base-Backbone interact. energy: -1.288
local terms energy: -140.688226
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -35.762
flat angles C4'-P-C4' energy: -35.810
flat angles P-C4'-P energy: -17.460
tors. eta vs tors. theta energy: -31.462
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: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -316.318447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.318447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.318447 (E_RNA)
where:
Base-Base interactions energy: -200.483
where: short stacking energy: -90.672
Base-Backbone interact. energy: 0.543
local terms energy: -116.378888
where:
bonds (distance) C4'-P energy: -26.114
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -16.409
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: 7, replica: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -235.462377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.462377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.462377 (E_RNA)
where:
Base-Base interactions energy: -125.570
where: short stacking energy: -53.966
Base-Backbone interact. energy: -1.352
local terms energy: -108.540964
where:
bonds (distance) C4'-P energy: -34.368
bonds (distance) P-C4' energy: -29.546
flat angles C4'-P-C4' energy: -25.061
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -165.146029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.146029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.146029 (E_RNA)
where:
Base-Base interactions energy: -63.060
where: short stacking energy: -48.708
Base-Backbone interact. energy: -2.008
local terms energy: -100.078252
where:
bonds (distance) C4'-P energy: -27.538
bonds (distance) P-C4' energy: -37.093
flat angles C4'-P-C4' energy: -20.783
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: 5.367
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: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -171.772565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.772565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.772565 (E_RNA)
where:
Base-Base interactions energy: -70.050
where: short stacking energy: -48.548
Base-Backbone interact. energy: -0.867
local terms energy: -100.855483
where:
bonds (distance) C4'-P energy: -25.992
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -28.196
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -158.577418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.577418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.577418 (E_RNA)
where:
Base-Base interactions energy: -56.711
where: short stacking energy: -35.350
Base-Backbone interact. energy: -0.360
local terms energy: -101.506652
where:
bonds (distance) C4'-P energy: -24.243
bonds (distance) P-C4' energy: -30.639
flat angles C4'-P-C4' energy: -22.581
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -529.120183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.120183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.120183 (E_RNA)
where:
Base-Base interactions energy: -349.875
where: short stacking energy: -157.276
Base-Backbone interact. energy: 1.189
local terms energy: -180.434191
where:
bonds (distance) C4'-P energy: -35.059
bonds (distance) P-C4' energy: -38.314
flat angles C4'-P-C4' energy: -35.918
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: -45.091
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: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -520.643413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.643413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.643413 (E_RNA)
where:
Base-Base interactions energy: -336.419
where: short stacking energy: -158.471
Base-Backbone interact. energy: -0.579
local terms energy: -183.645518
where:
bonds (distance) C4'-P energy: -32.806
bonds (distance) P-C4' energy: -36.080
flat angles C4'-P-C4' energy: -33.463
flat angles P-C4'-P energy: -26.723
tors. eta vs tors. theta energy: -54.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -473.658285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.658285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.658285 (E_RNA)
where:
Base-Base interactions energy: -305.480
where: short stacking energy: -150.141
Base-Backbone interact. energy: -0.103
local terms energy: -168.075196
where:
bonds (distance) C4'-P energy: -26.156
bonds (distance) P-C4' energy: -37.337
flat angles C4'-P-C4' energy: -35.178
flat angles P-C4'-P energy: -21.997
tors. eta vs tors. theta energy: -47.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -410.895666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.895666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.895666 (E_RNA)
where:
Base-Base interactions energy: -249.947
where: short stacking energy: -132.197
Base-Backbone interact. energy: 0.836
local terms energy: -161.784575
where:
bonds (distance) C4'-P energy: -30.128
bonds (distance) P-C4' energy: -37.032
flat angles C4'-P-C4' energy: -33.604
flat angles P-C4'-P energy: -25.741
tors. eta vs tors. theta energy: -35.280
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: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -375.149820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.149820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.149820 (E_RNA)
where:
Base-Base interactions energy: -231.365
where: short stacking energy: -101.773
Base-Backbone interact. energy: 0.554
local terms energy: -144.337945
where:
bonds (distance) C4'-P energy: -30.210
bonds (distance) P-C4' energy: -27.097
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -21.777
tors. eta vs tors. theta energy: -28.667
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: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -292.735844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.735844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.735844 (E_RNA)
where:
Base-Base interactions energy: -155.566
where: short stacking energy: -85.611
Base-Backbone interact. energy: -0.328
local terms energy: -136.841516
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -29.328
flat angles C4'-P-C4' energy: -35.921
flat angles P-C4'-P energy: -23.253
tors. eta vs tors. theta energy: -21.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -244.931265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.931265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.931265 (E_RNA)
where:
Base-Base interactions energy: -140.221
where: short stacking energy: -71.503
Base-Backbone interact. energy: -1.658
local terms energy: -103.052051
where:
bonds (distance) C4'-P energy: -34.295
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -10.543
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: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -163.800155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.800155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.800155 (E_RNA)
where:
Base-Base interactions energy: -77.663
where: short stacking energy: -34.983
Base-Backbone interact. energy: -0.638
local terms energy: -85.499187
where:
bonds (distance) C4'-P energy: -24.600
bonds (distance) P-C4' energy: -27.970
flat angles C4'-P-C4' energy: -30.543
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: 8.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -159.112837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.112837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.112837 (E_RNA)
where:
Base-Base interactions energy: -45.258
where: short stacking energy: -40.393
Base-Backbone interact. energy: -0.284
local terms energy: -113.570884
where:
bonds (distance) C4'-P energy: -33.159
bonds (distance) P-C4' energy: -31.460
flat angles C4'-P-C4' energy: -31.455
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -172.994364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.994364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.994364 (E_RNA)
where:
Base-Base interactions energy: -79.832
where: short stacking energy: -47.998
Base-Backbone interact. energy: -0.162
local terms energy: -93.000953
where:
bonds (distance) C4'-P energy: -30.047
bonds (distance) P-C4' energy: -28.321
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -3.707
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: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -524.846054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.846054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.846054 (E_RNA)
where:
Base-Base interactions energy: -357.125
where: short stacking energy: -155.539
Base-Backbone interact. energy: 1.636
local terms energy: -169.357058
where:
bonds (distance) C4'-P energy: -32.770
bonds (distance) P-C4' energy: -31.623
flat angles C4'-P-C4' energy: -35.439
flat angles P-C4'-P energy: -25.301
tors. eta vs tors. theta energy: -44.224
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: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -519.060504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.060504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.060504 (E_RNA)
where:
Base-Base interactions energy: -326.542
where: short stacking energy: -150.386
Base-Backbone interact. energy: -0.454
local terms energy: -192.065128
where:
bonds (distance) C4'-P energy: -37.656
bonds (distance) P-C4' energy: -39.441
flat angles C4'-P-C4' energy: -38.093
flat angles P-C4'-P energy: -26.412
tors. eta vs tors. theta energy: -50.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -471.088415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.088415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.088415 (E_RNA)
where:
Base-Base interactions energy: -297.681
where: short stacking energy: -141.915
Base-Backbone interact. energy: -0.190
local terms energy: -173.217867
where:
bonds (distance) C4'-P energy: -34.823
bonds (distance) P-C4' energy: -33.654
flat angles C4'-P-C4' energy: -38.599
flat angles P-C4'-P energy: -24.412
tors. eta vs tors. theta energy: -41.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -404.833102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.833102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.833102 (E_RNA)
where:
Base-Base interactions energy: -243.838
where: short stacking energy: -130.268
Base-Backbone interact. energy: -1.136
local terms energy: -159.858282
where:
bonds (distance) C4'-P energy: -35.022
bonds (distance) P-C4' energy: -34.550
flat angles C4'-P-C4' energy: -34.619
flat angles P-C4'-P energy: -22.314
tors. eta vs tors. theta energy: -33.353
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: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -361.131160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.131160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.131160 (E_RNA)
where:
Base-Base interactions energy: -214.750
where: short stacking energy: -107.428
Base-Backbone interact. energy: 0.515
local terms energy: -146.896141
where:
bonds (distance) C4'-P energy: -31.463
bonds (distance) P-C4' energy: -30.648
flat angles C4'-P-C4' energy: -33.630
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -27.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -292.692947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.692947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.692947 (E_RNA)
where:
Base-Base interactions energy: -167.044
where: short stacking energy: -91.808
Base-Backbone interact. energy: 2.928
local terms energy: -128.576747
where:
bonds (distance) C4'-P energy: -27.442
bonds (distance) P-C4' energy: -25.077
flat angles C4'-P-C4' energy: -28.655
flat angles P-C4'-P energy: -23.300
tors. eta vs tors. theta energy: -24.103
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: 175
Temperature: 1.200000
Total energy: -185.003781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.003781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.003781 (E_RNA)
where:
Base-Base interactions energy: -54.654
where: short stacking energy: -54.654
Base-Backbone interact. energy: -0.353
local terms energy: -129.997243
where:
bonds (distance) C4'-P energy: -26.835
bonds (distance) P-C4' energy: -34.422
flat angles C4'-P-C4' energy: -37.311
flat angles P-C4'-P energy: -21.294
tors. eta vs tors. theta energy: -10.136
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: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -160.690237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.690237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.690237 (E_RNA)
where:
Base-Base interactions energy: -51.327
where: short stacking energy: -48.572
Base-Backbone interact. energy: -0.606
local terms energy: -108.757451
where:
bonds (distance) C4'-P energy: -28.007
bonds (distance) P-C4' energy: -33.650
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -153.548777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.548777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.548777 (E_RNA)
where:
Base-Base interactions energy: -40.146
where: short stacking energy: -39.549
Base-Backbone interact. energy: -0.607
local terms energy: -112.796261
where:
bonds (distance) C4'-P energy: -32.787
bonds (distance) P-C4' energy: -35.478
flat angles C4'-P-C4' energy: -30.421
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: 1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -138.493941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.493941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.493941 (E_RNA)
where:
Base-Base interactions energy: -39.066
where: short stacking energy: -36.104
Base-Backbone interact. energy: -0.583
local terms energy: -98.845524
where:
bonds (distance) C4'-P energy: -32.329
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: 6.986
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: 6
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -555.227143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.227143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.227143 (E_RNA)
where:
Base-Base interactions energy: -365.662
where: short stacking energy: -175.550
Base-Backbone interact. energy: -1.375
local terms energy: -188.190696
where:
bonds (distance) C4'-P energy: -38.097
bonds (distance) P-C4' energy: -37.594
flat angles C4'-P-C4' energy: -39.868
flat angles P-C4'-P energy: -22.667
tors. eta vs tors. theta energy: -49.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -522.235563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.235563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.235563 (E_RNA)
where:
Base-Base interactions energy: -346.830
where: short stacking energy: -153.376
Base-Backbone interact. energy: -0.569
local terms energy: -174.836004
where:
bonds (distance) C4'-P energy: -34.860
bonds (distance) P-C4' energy: -33.431
flat angles C4'-P-C4' energy: -36.604
flat angles P-C4'-P energy: -26.872
tors. eta vs tors. theta energy: -43.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -486.035672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.035672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.035672 (E_RNA)
where:
Base-Base interactions energy: -299.889
where: short stacking energy: -157.691
Base-Backbone interact. energy: -0.014
local terms energy: -186.132083
where:
bonds (distance) C4'-P energy: -35.211
bonds (distance) P-C4' energy: -32.815
flat angles C4'-P-C4' energy: -37.039
flat angles P-C4'-P energy: -25.569
tors. eta vs tors. theta energy: -55.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -395.287918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.287918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.287918 (E_RNA)
where:
Base-Base interactions energy: -236.426
where: short stacking energy: -115.603
Base-Backbone interact. energy: -0.334
local terms energy: -158.527437
where:
bonds (distance) C4'-P energy: -31.279
bonds (distance) P-C4' energy: -32.996
flat angles C4'-P-C4' energy: -33.465
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -36.079
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: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -307.069783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.069783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.069783 (E_RNA)
where:
Base-Base interactions energy: -165.977
where: short stacking energy: -99.828
Base-Backbone interact. energy: -1.358
local terms energy: -139.734547
where:
bonds (distance) C4'-P energy: -26.244
bonds (distance) P-C4' energy: -35.431
flat angles C4'-P-C4' energy: -38.845
flat angles P-C4'-P energy: -17.866
tors. eta vs tors. theta energy: -21.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -307.924094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.924094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.924094 (E_RNA)
where:
Base-Base interactions energy: -186.866
where: short stacking energy: -88.863
Base-Backbone interact. energy: -1.374
local terms energy: -119.684355
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -29.176
flat angles C4'-P-C4' energy: -40.590
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -15.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -170.833727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.833727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.833727 (E_RNA)
where:
Base-Base interactions energy: -62.671
where: short stacking energy: -49.606
Base-Backbone interact. energy: -1.137
local terms energy: -107.026055
where:
bonds (distance) C4'-P energy: -35.784
bonds (distance) P-C4' energy: -35.777
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -22.364
tors. eta vs tors. theta energy: 4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -181.509689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.509689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.509689 (E_RNA)
where:
Base-Base interactions energy: -59.287
where: short stacking energy: -44.338
Base-Backbone interact. energy: -0.148
local terms energy: -122.074919
where:
bonds (distance) C4'-P energy: -33.932
bonds (distance) P-C4' energy: -33.097
flat angles C4'-P-C4' energy: -38.745
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -165.602252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.602252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.602252 (E_RNA)
where:
Base-Base interactions energy: -46.750
where: short stacking energy: -40.161
Base-Backbone interact. energy: 0.401
local terms energy: -119.252702
where:
bonds (distance) C4'-P energy: -40.883
bonds (distance) P-C4' energy: -26.882
flat angles C4'-P-C4' energy: -27.251
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -141.259241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.259241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.259241 (E_RNA)
where:
Base-Base interactions energy: -33.066
where: short stacking energy: -30.553
Base-Backbone interact. energy: -0.611
local terms energy: -107.582119
where:
bonds (distance) C4'-P energy: -37.737
bonds (distance) P-C4' energy: -31.822
flat angles C4'-P-C4' energy: -25.747
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: 3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -532.120343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.120343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.120343 (E_RNA)
where:
Base-Base interactions energy: -344.389
where: short stacking energy: -168.861
Base-Backbone interact. energy: -1.076
local terms energy: -186.655278
where:
bonds (distance) C4'-P energy: -31.801
bonds (distance) P-C4' energy: -35.036
flat angles C4'-P-C4' energy: -39.519
flat angles P-C4'-P energy: -26.955
tors. eta vs tors. theta energy: -53.344
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: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -526.081629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.081629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.081629 (E_RNA)
where:
Base-Base interactions energy: -359.889
where: short stacking energy: -157.440
Base-Backbone interact. energy: 1.733
local terms energy: -167.925939
where:
bonds (distance) C4'-P energy: -33.209
bonds (distance) P-C4' energy: -30.071
flat angles C4'-P-C4' energy: -36.076
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -45.998
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: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -485.703585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.703585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.703585 (E_RNA)
where:
Base-Base interactions energy: -301.531
where: short stacking energy: -153.303
Base-Backbone interact. energy: -0.789
local terms energy: -183.383484
where:
bonds (distance) C4'-P energy: -30.509
bonds (distance) P-C4' energy: -38.894
flat angles C4'-P-C4' energy: -35.582
flat angles P-C4'-P energy: -25.380
tors. eta vs tors. theta energy: -53.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -400.168260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.168260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.168260 (E_RNA)
where:
Base-Base interactions energy: -250.945
where: short stacking energy: -118.400
Base-Backbone interact. energy: -0.987
local terms energy: -148.236038
where:
bonds (distance) C4'-P energy: -35.172
bonds (distance) P-C4' energy: -32.885
flat angles C4'-P-C4' energy: -32.492
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -32.674
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: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -324.445616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.445616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.445616 (E_RNA)
where:
Base-Base interactions energy: -178.799
where: short stacking energy: -80.209
Base-Backbone interact. energy: -2.502
local terms energy: -143.144783
where:
bonds (distance) C4'-P energy: -35.485
bonds (distance) P-C4' energy: -30.525
flat angles C4'-P-C4' energy: -37.736
flat angles P-C4'-P energy: -21.672
tors. eta vs tors. theta energy: -17.726
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: 177
Temperature: 1.150000
Total energy: -320.917593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.917593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.917593 (E_RNA)
where:
Base-Base interactions energy: -192.509
where: short stacking energy: -99.031
Base-Backbone interact. energy: -0.423
local terms energy: -127.984980
where:
bonds (distance) C4'-P energy: -26.423
bonds (distance) P-C4' energy: -35.035
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -23.164
tors. eta vs tors. theta energy: -20.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -185.026150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.026150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.026150 (E_RNA)
where:
Base-Base interactions energy: -76.016
where: short stacking energy: -54.041
Base-Backbone interact. energy: 5.915
local terms energy: -114.924945
where:
bonds (distance) C4'-P energy: -28.832
bonds (distance) P-C4' energy: -36.420
flat angles C4'-P-C4' energy: -24.347
flat angles P-C4'-P energy: -22.276
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -169.321245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.321245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.321245 (E_RNA)
where:
Base-Base interactions energy: -53.504
where: short stacking energy: -48.267
Base-Backbone interact. energy: 1.308
local terms energy: -117.125640
where:
bonds (distance) C4'-P energy: -32.681
bonds (distance) P-C4' energy: -36.221
flat angles C4'-P-C4' energy: -27.833
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -1.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -158.507164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.507164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.507164 (E_RNA)
where:
Base-Base interactions energy: -60.687
where: short stacking energy: -28.650
Base-Backbone interact. energy: -0.261
local terms energy: -97.558466
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: 9.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -143.432184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.432184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.432184 (E_RNA)
where:
Base-Base interactions energy: -60.450
where: short stacking energy: -49.261
Base-Backbone interact. energy: 3.837
local terms energy: -86.818896
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -32.410
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -529.769457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.769457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.769457 (E_RNA)
where:
Base-Base interactions energy: -337.960
where: short stacking energy: -159.665
Base-Backbone interact. energy: -0.386
local terms energy: -191.422845
where:
bonds (distance) C4'-P energy: -38.932
bonds (distance) P-C4' energy: -31.570
flat angles C4'-P-C4' energy: -39.873
flat angles P-C4'-P energy: -28.108
tors. eta vs tors. theta energy: -52.940
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: 178
Temperature: 0.950000
Total energy: -524.701752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.701752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.701752 (E_RNA)
where:
Base-Base interactions energy: -350.786
where: short stacking energy: -155.163
Base-Backbone interact. energy: 1.500
local terms energy: -175.415220
where:
bonds (distance) C4'-P energy: -32.232
bonds (distance) P-C4' energy: -36.680
flat angles C4'-P-C4' energy: -37.679
flat angles P-C4'-P energy: -25.389
tors. eta vs tors. theta energy: -43.435
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: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -479.795659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.795659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.795659 (E_RNA)
where:
Base-Base interactions energy: -297.451
where: short stacking energy: -140.795
Base-Backbone interact. energy: -0.288
local terms energy: -182.056500
where:
bonds (distance) C4'-P energy: -33.793
bonds (distance) P-C4' energy: -32.634
flat angles C4'-P-C4' energy: -40.032
flat angles P-C4'-P energy: -28.610
tors. eta vs tors. theta energy: -46.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -408.468848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.468848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.468848 (E_RNA)
where:
Base-Base interactions energy: -245.685
where: short stacking energy: -115.875
Base-Backbone interact. energy: -0.207
local terms energy: -162.576927
where:
bonds (distance) C4'-P energy: -29.055
bonds (distance) P-C4' energy: -32.519
flat angles C4'-P-C4' energy: -37.078
flat angles P-C4'-P energy: -26.851
tors. eta vs tors. theta energy: -37.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -369.411051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.411051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.411051 (E_RNA)
where:
Base-Base interactions energy: -241.857
where: short stacking energy: -98.239
Base-Backbone interact. energy: -1.078
local terms energy: -126.476442
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -34.144
flat angles C4'-P-C4' energy: -26.389
flat angles P-C4'-P energy: -20.374
tors. eta vs tors. theta energy: -22.522
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: 178
Temperature: 1.150000
Total energy: -325.192571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.192571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.192571 (E_RNA)
where:
Base-Base interactions energy: -213.575
where: short stacking energy: -93.315
Base-Backbone interact. energy: 1.739
local terms energy: -113.356779
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -26.195
flat angles C4'-P-C4' energy: -24.154
flat angles P-C4'-P energy: -22.796
tors. eta vs tors. theta energy: -11.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -185.797512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.797512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.797512 (E_RNA)
where:
Base-Base interactions energy: -90.287
where: short stacking energy: -69.873
Base-Backbone interact. energy: -0.583
local terms energy: -94.927202
where:
bonds (distance) C4'-P energy: -25.410
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -9.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -185.095613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.095613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.095613 (E_RNA)
where:
Base-Base interactions energy: -78.384
where: short stacking energy: -61.360
Base-Backbone interact. energy: -1.843
local terms energy: -104.868648
where:
bonds (distance) C4'-P energy: -28.754
bonds (distance) P-C4' energy: -34.414
flat angles C4'-P-C4' energy: -27.963
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -1.059
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: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -188.370079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.370079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.370079 (E_RNA)
where:
Base-Base interactions energy: -93.122
where: short stacking energy: -70.887
Base-Backbone interact. energy: 0.612
local terms energy: -95.859687
where:
bonds (distance) C4'-P energy: -28.899
bonds (distance) P-C4' energy: -22.058
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -18.739
tors. eta vs tors. theta energy: -8.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -143.985444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.985444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.985444 (E_RNA)
where:
Base-Base interactions energy: -43.758
where: short stacking energy: -40.150
Base-Backbone interact. energy: -0.470
local terms energy: -99.756826
where:
bonds (distance) C4'-P energy: -35.078
bonds (distance) P-C4' energy: -28.715
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: 4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -532.991602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.991602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.991602 (E_RNA)
where:
Base-Base interactions energy: -346.363
where: short stacking energy: -155.931
Base-Backbone interact. energy: 0.785
local terms energy: -187.413420
where:
bonds (distance) C4'-P energy: -40.957
bonds (distance) P-C4' energy: -35.081
flat angles C4'-P-C4' energy: -33.356
flat angles P-C4'-P energy: -28.367
tors. eta vs tors. theta energy: -49.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -538.276930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.276930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.276930 (E_RNA)
where:
Base-Base interactions energy: -360.901
where: short stacking energy: -153.550
Base-Backbone interact. energy: 1.196
local terms energy: -178.572067
where:
bonds (distance) C4'-P energy: -29.528
bonds (distance) P-C4' energy: -34.190
flat angles C4'-P-C4' energy: -39.966
flat angles P-C4'-P energy: -26.633
tors. eta vs tors. theta energy: -48.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -476.680740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.680740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.680740 (E_RNA)
where:
Base-Base interactions energy: -304.330
where: short stacking energy: -148.742
Base-Backbone interact. energy: -0.179
local terms energy: -172.171746
where:
bonds (distance) C4'-P energy: -33.809
bonds (distance) P-C4' energy: -35.496
flat angles C4'-P-C4' energy: -34.486
flat angles P-C4'-P energy: -24.993
tors. eta vs tors. theta energy: -43.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -413.327951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.327951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.327951 (E_RNA)
where:
Base-Base interactions energy: -258.550
where: short stacking energy: -120.599
Base-Backbone interact. energy: 1.202
local terms energy: -155.980578
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -33.802
flat angles C4'-P-C4' energy: -37.674
flat angles P-C4'-P energy: -22.737
tors. eta vs tors. theta energy: -34.624
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: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -324.412985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.412985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.412985 (E_RNA)
where:
Base-Base interactions energy: -196.426
where: short stacking energy: -93.417
Base-Backbone interact. energy: -0.325
local terms energy: -127.661981
where:
bonds (distance) C4'-P energy: -35.370
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -28.121
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -15.791
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: 179
Temperature: 1.150000
Total energy: -333.669413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.669413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.669413 (E_RNA)
where:
Base-Base interactions energy: -218.740
where: short stacking energy: -91.627
Base-Backbone interact. energy: 2.723
local terms energy: -117.652622
where:
bonds (distance) C4'-P energy: -28.332
bonds (distance) P-C4' energy: -27.191
flat angles C4'-P-C4' energy: -27.880
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -22.147
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: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -189.008884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.008884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.008884 (E_RNA)
where:
Base-Base interactions energy: -67.539
where: short stacking energy: -67.615
Base-Backbone interact. energy: -0.183
local terms energy: -121.287112
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -36.367
flat angles C4'-P-C4' energy: -29.611
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -12.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -167.797062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.797062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.797062 (E_RNA)
where:
Base-Base interactions energy: -56.034
where: short stacking energy: -47.589
Base-Backbone interact. energy: 1.179
local terms energy: -112.942082
where:
bonds (distance) C4'-P energy: -29.439
bonds (distance) P-C4' energy: -29.092
flat angles C4'-P-C4' energy: -31.154
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -166.616843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.616843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.616843 (E_RNA)
where:
Base-Base interactions energy: -73.131
where: short stacking energy: -52.498
Base-Backbone interact. energy: -0.809
local terms energy: -92.677060
where:
bonds (distance) C4'-P energy: -25.801
bonds (distance) P-C4' energy: -31.257
flat angles C4'-P-C4' energy: -24.324
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -184.288726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.288726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.288726 (E_RNA)
where:
Base-Base interactions energy: -66.109
where: short stacking energy: -35.036
Base-Backbone interact. energy: 0.360
local terms energy: -118.539619
where:
bonds (distance) C4'-P energy: -35.293
bonds (distance) P-C4' energy: -33.483
flat angles C4'-P-C4' energy: -25.761
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -9.348
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: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -531.145478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.145478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.145478 (E_RNA)
where:
Base-Base interactions energy: -354.551
where: short stacking energy: -145.732
Base-Backbone interact. energy: -1.414
local terms energy: -175.180559
where:
bonds (distance) C4'-P energy: -25.041
bonds (distance) P-C4' energy: -36.409
flat angles C4'-P-C4' energy: -41.049
flat angles P-C4'-P energy: -28.775
tors. eta vs tors. theta energy: -43.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -505.645602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.645602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.645602 (E_RNA)
where:
Base-Base interactions energy: -323.543
where: short stacking energy: -158.664
Base-Backbone interact. energy: -0.752
local terms energy: -181.350875
where:
bonds (distance) C4'-P energy: -33.573
bonds (distance) P-C4' energy: -32.377
flat angles C4'-P-C4' energy: -39.626
flat angles P-C4'-P energy: -26.267
tors. eta vs tors. theta energy: -49.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -464.750004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.750004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.750004 (E_RNA)
where:
Base-Base interactions energy: -288.783
where: short stacking energy: -136.420
Base-Backbone interact. energy: 0.667
local terms energy: -176.634183
where:
bonds (distance) C4'-P energy: -36.671
bonds (distance) P-C4' energy: -34.763
flat angles C4'-P-C4' energy: -34.633
flat angles P-C4'-P energy: -29.712
tors. eta vs tors. theta energy: -40.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -423.199614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.199614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.199614 (E_RNA)
where:
Base-Base interactions energy: -251.912
where: short stacking energy: -118.363
Base-Backbone interact. energy: 1.730
local terms energy: -173.017447
where:
bonds (distance) C4'-P energy: -40.575
bonds (distance) P-C4' energy: -32.930
flat angles C4'-P-C4' energy: -38.129
flat angles P-C4'-P energy: -27.356
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: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -365.910656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.910656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.910656 (E_RNA)
where:
Base-Base interactions energy: -219.395
where: short stacking energy: -103.656
Base-Backbone interact. energy: 1.886
local terms energy: -148.401550
where:
bonds (distance) C4'-P energy: -25.962
bonds (distance) P-C4' energy: -31.491
flat angles C4'-P-C4' energy: -32.256
flat angles P-C4'-P energy: -30.236
tors. eta vs tors. theta energy: -28.457
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: 6, replica: 8
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -326.529241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.529241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.529241 (E_RNA)
where:
Base-Base interactions energy: -181.629
where: short stacking energy: -85.371
Base-Backbone interact. energy: 0.589
local terms energy: -145.489468
where:
bonds (distance) C4'-P energy: -42.826
bonds (distance) P-C4' energy: -30.667
flat angles C4'-P-C4' energy: -35.153
flat angles P-C4'-P energy: -17.947
tors. eta vs tors. theta energy: -18.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -200.587076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.587076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.587076 (E_RNA)
where:
Base-Base interactions energy: -83.213
where: short stacking energy: -54.675
Base-Backbone interact. energy: 1.635
local terms energy: -119.008831
where:
bonds (distance) C4'-P energy: -37.447
bonds (distance) P-C4' energy: -35.926
flat angles C4'-P-C4' energy: -23.726
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -5.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -171.323068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.323068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.323068 (E_RNA)
where:
Base-Base interactions energy: -60.461
where: short stacking energy: -46.883
Base-Backbone interact. energy: -1.939
local terms energy: -108.922549
where:
bonds (distance) C4'-P energy: -35.639
bonds (distance) P-C4' energy: -34.012
flat angles C4'-P-C4' energy: -22.478
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -174.428467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.428467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.428467 (E_RNA)
where:
Base-Base interactions energy: -59.094
where: short stacking energy: -48.408
Base-Backbone interact. energy: -2.127
local terms energy: -113.207494
where:
bonds (distance) C4'-P energy: -29.545
bonds (distance) P-C4' energy: -31.416
flat angles C4'-P-C4' energy: -26.010
flat angles P-C4'-P energy: -20.325
tors. eta vs tors. theta energy: -5.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -169.119919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.119919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.119919 (E_RNA)
where:
Base-Base interactions energy: -54.739
where: short stacking energy: -48.281
Base-Backbone interact. energy: -0.218
local terms energy: -114.163013
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -36.920
flat angles C4'-P-C4' energy: -36.959
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -536.865396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.865396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.865396 (E_RNA)
where:
Base-Base interactions energy: -359.710
where: short stacking energy: -156.617
Base-Backbone interact. energy: 0.014
local terms energy: -177.169595
where:
bonds (distance) C4'-P energy: -36.513
bonds (distance) P-C4' energy: -34.991
flat angles C4'-P-C4' energy: -38.463
flat angles P-C4'-P energy: -23.691
tors. eta vs tors. theta energy: -43.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -506.245119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.245119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.245119 (E_RNA)
where:
Base-Base interactions energy: -322.813
where: short stacking energy: -149.701
Base-Backbone interact. energy: 0.686
local terms energy: -184.118221
where:
bonds (distance) C4'-P energy: -35.361
bonds (distance) P-C4' energy: -35.533
flat angles C4'-P-C4' energy: -41.978
flat angles P-C4'-P energy: -23.508
tors. eta vs tors. theta energy: -47.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -495.409923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.409923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.409923 (E_RNA)
where:
Base-Base interactions energy: -315.718
where: short stacking energy: -156.154
Base-Backbone interact. energy: -0.016
local terms energy: -179.675249
where:
bonds (distance) C4'-P energy: -32.807
bonds (distance) P-C4' energy: -30.577
flat angles C4'-P-C4' energy: -35.058
flat angles P-C4'-P energy: -28.755
tors. eta vs tors. theta energy: -52.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -428.753687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.753687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.753687 (E_RNA)
where:
Base-Base interactions energy: -256.176
where: short stacking energy: -120.352
Base-Backbone interact. energy: -0.482
local terms energy: -172.095679
where:
bonds (distance) C4'-P energy: -34.800
bonds (distance) P-C4' energy: -29.553
flat angles C4'-P-C4' energy: -41.295
flat angles P-C4'-P energy: -28.965
tors. eta vs tors. theta energy: -37.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -383.579783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.579783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.579783 (E_RNA)
where:
Base-Base interactions energy: -235.935
where: short stacking energy: -102.463
Base-Backbone interact. energy: 0.675
local terms energy: -148.320398
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -38.353
flat angles C4'-P-C4' energy: -32.296
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -27.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -334.635629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.635629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.635629 (E_RNA)
where:
Base-Base interactions energy: -200.258
where: short stacking energy: -109.094
Base-Backbone interact. energy: -0.167
local terms energy: -134.211123
where:
bonds (distance) C4'-P energy: -34.861
bonds (distance) P-C4' energy: -25.377
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -32.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -180.169672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.169672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.169672 (E_RNA)
where:
Base-Base interactions energy: -73.430
where: short stacking energy: -40.772
Base-Backbone interact. energy: -1.115
local terms energy: -105.625281
where:
bonds (distance) C4'-P energy: -33.378
bonds (distance) P-C4' energy: -35.573
flat angles C4'-P-C4' energy: -23.480
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: 4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -163.432962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.432962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.432962 (E_RNA)
where:
Base-Base interactions energy: -57.715
where: short stacking energy: -49.131
Base-Backbone interact. energy: 0.738
local terms energy: -106.455847
where:
bonds (distance) C4'-P energy: -32.629
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -33.163
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -154.663676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.663676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.663676 (E_RNA)
where:
Base-Base interactions energy: -51.338
where: short stacking energy: -36.445
Base-Backbone interact. energy: -0.406
local terms energy: -102.919970
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -37.837
flat angles C4'-P-C4' energy: -28.752
flat angles P-C4'-P energy: -18.312
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -153.034632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.034632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.034632 (E_RNA)
where:
Base-Base interactions energy: -51.744
where: short stacking energy: -42.333
Base-Backbone interact. energy: -1.240
local terms energy: -100.051034
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -39.608
flat angles C4'-P-C4' energy: -26.761
flat angles P-C4'-P energy: -18.509
tors. eta vs tors. theta energy: 7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -520.078171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.078171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.078171 (E_RNA)
where:
Base-Base interactions energy: -349.050
where: short stacking energy: -145.812
Base-Backbone interact. energy: -1.005
local terms energy: -170.022630
where:
bonds (distance) C4'-P energy: -29.673
bonds (distance) P-C4' energy: -33.567
flat angles C4'-P-C4' energy: -40.275
flat angles P-C4'-P energy: -21.333
tors. eta vs tors. theta energy: -45.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -511.986625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.986625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.986625 (E_RNA)
where:
Base-Base interactions energy: -349.491
where: short stacking energy: -144.945
Base-Backbone interact. energy: -0.351
local terms energy: -162.144491
where:
bonds (distance) C4'-P energy: -30.857
bonds (distance) P-C4' energy: -31.424
flat angles C4'-P-C4' energy: -32.232
flat angles P-C4'-P energy: -27.746
tors. eta vs tors. theta energy: -39.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -496.772775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.772775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.772775 (E_RNA)
where:
Base-Base interactions energy: -330.859
where: short stacking energy: -167.597
Base-Backbone interact. energy: -0.054
local terms energy: -165.859403
where:
bonds (distance) C4'-P energy: -25.722
bonds (distance) P-C4' energy: -38.145
flat angles C4'-P-C4' energy: -33.421
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -52.747
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: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -414.274927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.274927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.274927 (E_RNA)
where:
Base-Base interactions energy: -253.254
where: short stacking energy: -131.853
Base-Backbone interact. energy: -0.797
local terms energy: -160.224039
where:
bonds (distance) C4'-P energy: -36.722
bonds (distance) P-C4' energy: -33.294
flat angles C4'-P-C4' energy: -33.912
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -38.112
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: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -330.390037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.390037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.390037 (E_RNA)
where:
Base-Base interactions energy: -190.191
where: short stacking energy: -91.395
Base-Backbone interact. energy: -0.464
local terms energy: -139.735379
where:
bonds (distance) C4'-P energy: -31.161
bonds (distance) P-C4' energy: -34.163
flat angles C4'-P-C4' energy: -33.571
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -24.931
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: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -367.069520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.069520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.069520 (E_RNA)
where:
Base-Base interactions energy: -227.077
where: short stacking energy: -93.560
Base-Backbone interact. energy: -1.101
local terms energy: -138.891365
where:
bonds (distance) C4'-P energy: -24.967
bonds (distance) P-C4' energy: -40.745
flat angles C4'-P-C4' energy: -31.076
flat angles P-C4'-P energy: -25.193
tors. eta vs tors. theta energy: -16.910
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: 7, replica: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -209.317638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.317638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.317638 (E_RNA)
where:
Base-Base interactions energy: -88.853
where: short stacking energy: -66.300
Base-Backbone interact. energy: -1.098
local terms energy: -119.366986
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -33.407
flat angles C4'-P-C4' energy: -35.778
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -160.741257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.741257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.741257 (E_RNA)
where:
Base-Base interactions energy: -49.681
where: short stacking energy: -44.940
Base-Backbone interact. energy: -0.526
local terms energy: -110.534679
where:
bonds (distance) C4'-P energy: -29.362
bonds (distance) P-C4' energy: -26.314
flat angles C4'-P-C4' energy: -33.341
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -161.824191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.824191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.824191 (E_RNA)
where:
Base-Base interactions energy: -61.452
where: short stacking energy: -38.372
Base-Backbone interact. energy: 1.891
local terms energy: -102.262704
where:
bonds (distance) C4'-P energy: -30.411
bonds (distance) P-C4' energy: -37.035
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: 1.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -160.196976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.196976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.196976 (E_RNA)
where:
Base-Base interactions energy: -63.408
where: short stacking energy: -32.680
Base-Backbone interact. energy: -0.982
local terms energy: -95.807213
where:
bonds (distance) C4'-P energy: -30.005
bonds (distance) P-C4' energy: -27.889
flat angles C4'-P-C4' energy: -27.476
flat angles P-C4'-P energy: -19.328
tors. eta vs tors. theta energy: 8.890
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: 1, replica: 6
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -521.026690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.026690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.026690 (E_RNA)
where:
Base-Base interactions energy: -328.045
where: short stacking energy: -166.604
Base-Backbone interact. energy: 1.003
local terms energy: -193.984575
where:
bonds (distance) C4'-P energy: -36.911
bonds (distance) P-C4' energy: -36.937
flat angles C4'-P-C4' energy: -38.122
flat angles P-C4'-P energy: -25.726
tors. eta vs tors. theta energy: -56.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -524.628199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.628199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.628199 (E_RNA)
where:
Base-Base interactions energy: -358.054
where: short stacking energy: -156.720
Base-Backbone interact. energy: -0.681
local terms energy: -165.893349
where:
bonds (distance) C4'-P energy: -34.687
bonds (distance) P-C4' energy: -26.550
flat angles C4'-P-C4' energy: -34.041
flat angles P-C4'-P energy: -30.412
tors. eta vs tors. theta energy: -40.202
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: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -506.017023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.017023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.017023 (E_RNA)
where:
Base-Base interactions energy: -310.879
where: short stacking energy: -151.064
Base-Backbone interact. energy: -0.509
local terms energy: -194.628570
where:
bonds (distance) C4'-P energy: -31.864
bonds (distance) P-C4' energy: -40.620
flat angles C4'-P-C4' energy: -42.868
flat angles P-C4'-P energy: -25.784
tors. eta vs tors. theta energy: -53.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -414.094554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.094554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.094554 (E_RNA)
where:
Base-Base interactions energy: -269.998
where: short stacking energy: -117.358
Base-Backbone interact. energy: -0.705
local terms energy: -143.391940
where:
bonds (distance) C4'-P energy: -25.517
bonds (distance) P-C4' energy: -29.359
flat angles C4'-P-C4' energy: -37.506
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: -27.451
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: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -359.501664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.501664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.501664 (E_RNA)
where:
Base-Base interactions energy: -216.455
where: short stacking energy: -106.486
Base-Backbone interact. energy: -0.651
local terms energy: -142.395849
where:
bonds (distance) C4'-P energy: -30.324
bonds (distance) P-C4' energy: -37.368
flat angles C4'-P-C4' energy: -27.489
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: -29.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -355.776724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.776724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.776724 (E_RNA)
where:
Base-Base interactions energy: -221.842
where: short stacking energy: -101.722
Base-Backbone interact. energy: -0.562
local terms energy: -133.373200
where:
bonds (distance) C4'-P energy: -28.547
bonds (distance) P-C4' energy: -32.514
flat angles C4'-P-C4' energy: -29.660
flat angles P-C4'-P energy: -18.946
tors. eta vs tors. theta energy: -23.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -209.214701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.214701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.214701 (E_RNA)
where:
Base-Base interactions energy: -90.388
where: short stacking energy: -62.480
Base-Backbone interact. energy: -0.510
local terms energy: -118.316058
where:
bonds (distance) C4'-P energy: -37.960
bonds (distance) P-C4' energy: -31.826
flat angles C4'-P-C4' energy: -22.608
flat angles P-C4'-P energy: -21.647
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -163.414680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.414680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.414680 (E_RNA)
where:
Base-Base interactions energy: -59.528
where: short stacking energy: -37.738
Base-Backbone interact. energy: 1.762
local terms energy: -105.648788
where:
bonds (distance) C4'-P energy: -31.242
bonds (distance) P-C4' energy: -31.987
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -156.189032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.189032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.189032 (E_RNA)
where:
Base-Base interactions energy: -57.398
where: short stacking energy: -34.887
Base-Backbone interact. energy: -0.858
local terms energy: -97.933016
where:
bonds (distance) C4'-P energy: -33.880
bonds (distance) P-C4' energy: -29.817
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -8.576
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: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -145.645501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.645501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.645501 (E_RNA)
where:
Base-Base interactions energy: -38.187
where: short stacking energy: -28.665
Base-Backbone interact. energy: -0.734
local terms energy: -106.724835
where:
bonds (distance) C4'-P energy: -29.339
bonds (distance) P-C4' energy: -25.720
flat angles C4'-P-C4' energy: -27.216
flat angles P-C4'-P energy: -24.346
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -532.231533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.231533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.231533 (E_RNA)
where:
Base-Base interactions energy: -356.401
where: short stacking energy: -143.820
Base-Backbone interact. energy: -0.837
local terms energy: -174.993595
where:
bonds (distance) C4'-P energy: -32.108
bonds (distance) P-C4' energy: -37.356
flat angles C4'-P-C4' energy: -40.002
flat angles P-C4'-P energy: -23.431
tors. eta vs tors. theta energy: -42.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -505.145521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.145521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.145521 (E_RNA)
where:
Base-Base interactions energy: -335.212
where: short stacking energy: -157.231
Base-Backbone interact. energy: 0.483
local terms energy: -170.416831
where:
bonds (distance) C4'-P energy: -31.850
bonds (distance) P-C4' energy: -27.856
flat angles C4'-P-C4' energy: -36.588
flat angles P-C4'-P energy: -26.657
tors. eta vs tors. theta energy: -47.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -503.354001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.354001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.354001 (E_RNA)
where:
Base-Base interactions energy: -321.705
where: short stacking energy: -154.729
Base-Backbone interact. energy: -0.009
local terms energy: -181.639703
where:
bonds (distance) C4'-P energy: -23.068
bonds (distance) P-C4' energy: -36.018
flat angles C4'-P-C4' energy: -37.550
flat angles P-C4'-P energy: -29.366
tors. eta vs tors. theta energy: -55.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -418.823741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.823741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.823741 (E_RNA)
where:
Base-Base interactions energy: -260.544
where: short stacking energy: -114.784
Base-Backbone interact. energy: -0.348
local terms energy: -157.932316
where:
bonds (distance) C4'-P energy: -32.022
bonds (distance) P-C4' energy: -30.877
flat angles C4'-P-C4' energy: -36.163
flat angles P-C4'-P energy: -24.080
tors. eta vs tors. theta energy: -34.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -406.218432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.218432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.218432 (E_RNA)
where:
Base-Base interactions energy: -259.880
where: short stacking energy: -121.207
Base-Backbone interact. energy: 1.852
local terms energy: -148.190508
where:
bonds (distance) C4'-P energy: -31.779
bonds (distance) P-C4' energy: -30.364
flat angles C4'-P-C4' energy: -30.154
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: -32.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -348.798329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.798329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.798329 (E_RNA)
where:
Base-Base interactions energy: -212.682
where: short stacking energy: -95.960
Base-Backbone interact. energy: -1.427
local terms energy: -134.689423
where:
bonds (distance) C4'-P energy: -35.383
bonds (distance) P-C4' energy: -37.351
flat angles C4'-P-C4' energy: -28.009
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -23.671
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: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -183.667169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.667169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.667169 (E_RNA)
where:
Base-Base interactions energy: -71.779
where: short stacking energy: -68.018
Base-Backbone interact. energy: -0.238
local terms energy: -111.650967
where:
bonds (distance) C4'-P energy: -28.700
bonds (distance) P-C4' energy: -31.672
flat angles C4'-P-C4' energy: -28.909
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -185.144072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.144072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.144072 (E_RNA)
where:
Base-Base interactions energy: -77.049
where: short stacking energy: -48.037
Base-Backbone interact. energy: -1.318
local terms energy: -106.776967
where:
bonds (distance) C4'-P energy: -37.015
bonds (distance) P-C4' energy: -27.590
flat angles C4'-P-C4' energy: -25.304
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: 3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -148.015376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.015376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.015376 (E_RNA)
where:
Base-Base interactions energy: -51.700
where: short stacking energy: -47.919
Base-Backbone interact. energy: -0.864
local terms energy: -95.450953
where:
bonds (distance) C4'-P energy: -36.267
bonds (distance) P-C4' energy: -26.291
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -145.236913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.236913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.236913 (E_RNA)
where:
Base-Base interactions energy: -56.327
where: short stacking energy: -37.695
Base-Backbone interact. energy: -1.632
local terms energy: -87.278416
where:
bonds (distance) C4'-P energy: -31.024
bonds (distance) P-C4' energy: -28.442
flat angles C4'-P-C4' energy: -25.558
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: 8.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -527.491356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.491356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.491356 (E_RNA)
where:
Base-Base interactions energy: -359.392
where: short stacking energy: -155.528
Base-Backbone interact. energy: -0.269
local terms energy: -167.829763
where:
bonds (distance) C4'-P energy: -30.076
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -35.001
flat angles P-C4'-P energy: -27.778
tors. eta vs tors. theta energy: -41.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -508.764979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.764979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.764979 (E_RNA)
where:
Base-Base interactions energy: -338.437
where: short stacking energy: -150.388
Base-Backbone interact. energy: -1.172
local terms energy: -169.155207
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -40.431
flat angles C4'-P-C4' energy: -34.360
flat angles P-C4'-P energy: -27.172
tors. eta vs tors. theta energy: -44.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -492.598323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.598323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.598323 (E_RNA)
where:
Base-Base interactions energy: -333.244
where: short stacking energy: -165.854
Base-Backbone interact. energy: -0.285
local terms energy: -159.069726
where:
bonds (distance) C4'-P energy: -26.175
bonds (distance) P-C4' energy: -31.448
flat angles C4'-P-C4' energy: -30.599
flat angles P-C4'-P energy: -21.899
tors. eta vs tors. theta energy: -48.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -444.501642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.501642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.501642 (E_RNA)
where:
Base-Base interactions energy: -301.664
where: short stacking energy: -129.948
Base-Backbone interact. energy: -0.110
local terms energy: -142.728242
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -38.780
flat angles C4'-P-C4' energy: -31.518
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -29.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -389.528295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.528295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.528295 (E_RNA)
where:
Base-Base interactions energy: -240.899
where: short stacking energy: -101.412
Base-Backbone interact. energy: -0.835
local terms energy: -147.794176
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -35.821
flat angles C4'-P-C4' energy: -37.797
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -28.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -360.668943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.668943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.668943 (E_RNA)
where:
Base-Base interactions energy: -214.189
where: short stacking energy: -117.170
Base-Backbone interact. energy: -0.396
local terms energy: -146.084074
where:
bonds (distance) C4'-P energy: -26.730
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -33.607
flat angles P-C4'-P energy: -22.759
tors. eta vs tors. theta energy: -30.422
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: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -190.699003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.699003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.699003 (E_RNA)
where:
Base-Base interactions energy: -72.230
where: short stacking energy: -56.304
Base-Backbone interact. energy: -0.151
local terms energy: -118.318430
where:
bonds (distance) C4'-P energy: -33.523
bonds (distance) P-C4' energy: -29.593
flat angles C4'-P-C4' energy: -26.696
flat angles P-C4'-P energy: -20.333
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: 8, replica: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -189.137744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.137744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.137744 (E_RNA)
where:
Base-Base interactions energy: -71.469
where: short stacking energy: -49.206
Base-Backbone interact. energy: 0.947
local terms energy: -118.615303
where:
bonds (distance) C4'-P energy: -28.702
bonds (distance) P-C4' energy: -32.637
flat angles C4'-P-C4' energy: -37.607
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -7.604
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: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -158.904329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.904329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.904329 (E_RNA)
where:
Base-Base interactions energy: -59.302
where: short stacking energy: -28.203
Base-Backbone interact. energy: 0.339
local terms energy: -99.941315
where:
bonds (distance) C4'-P energy: -33.619
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -26.650
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: 2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -146.130962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.130962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.130962 (E_RNA)
where:
Base-Base interactions energy: -51.367
where: short stacking energy: -27.314
Base-Backbone interact. energy: -0.542
local terms energy: -94.221941
where:
bonds (distance) C4'-P energy: -31.589
bonds (distance) P-C4' energy: -25.275
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -23.223
tors. eta vs tors. theta energy: 5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -524.204402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.204402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.204402 (E_RNA)
where:
Base-Base interactions energy: -344.613
where: short stacking energy: -148.023
Base-Backbone interact. energy: -0.103
local terms energy: -179.488572
where:
bonds (distance) C4'-P energy: -33.268
bonds (distance) P-C4' energy: -37.184
flat angles C4'-P-C4' energy: -37.982
flat angles P-C4'-P energy: -22.722
tors. eta vs tors. theta energy: -48.332
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: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -512.919092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.919092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.919092 (E_RNA)
where:
Base-Base interactions energy: -346.710
where: short stacking energy: -133.617
Base-Backbone interact. energy: 0.272
local terms energy: -166.481215
where:
bonds (distance) C4'-P energy: -34.530
bonds (distance) P-C4' energy: -36.843
flat angles C4'-P-C4' energy: -30.410
flat angles P-C4'-P energy: -26.385
tors. eta vs tors. theta energy: -38.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -516.505586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.505586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.505586 (E_RNA)
where:
Base-Base interactions energy: -324.346
where: short stacking energy: -150.816
Base-Backbone interact. energy: 0.063
local terms energy: -192.222597
where:
bonds (distance) C4'-P energy: -34.098
bonds (distance) P-C4' energy: -39.728
flat angles C4'-P-C4' energy: -39.934
flat angles P-C4'-P energy: -25.300
tors. eta vs tors. theta energy: -53.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -438.777017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.777017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.777017 (E_RNA)
where:
Base-Base interactions energy: -276.040
where: short stacking energy: -120.834
Base-Backbone interact. energy: -0.752
local terms energy: -161.984269
where:
bonds (distance) C4'-P energy: -32.682
bonds (distance) P-C4' energy: -28.801
flat angles C4'-P-C4' energy: -35.031
flat angles P-C4'-P energy: -26.811
tors. eta vs tors. theta energy: -38.659
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: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -407.830596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.830596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.830596 (E_RNA)
where:
Base-Base interactions energy: -263.995
where: short stacking energy: -129.197
Base-Backbone interact. energy: -1.841
local terms energy: -141.995154
where:
bonds (distance) C4'-P energy: -31.290
bonds (distance) P-C4' energy: -41.130
flat angles C4'-P-C4' energy: -26.021
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -25.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -362.262331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.262331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.262331 (E_RNA)
where:
Base-Base interactions energy: -218.441
where: short stacking energy: -97.547
Base-Backbone interact. energy: -0.551
local terms energy: -143.269828
where:
bonds (distance) C4'-P energy: -28.238
bonds (distance) P-C4' energy: -39.825
flat angles C4'-P-C4' energy: -31.633
flat angles P-C4'-P energy: -20.427
tors. eta vs tors. theta energy: -23.147
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: 7, replica: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -164.908459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.908459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.908459 (E_RNA)
where:
Base-Base interactions energy: -49.790
where: short stacking energy: -43.515
Base-Backbone interact. energy: -0.589
local terms energy: -114.529922
where:
bonds (distance) C4'-P energy: -25.214
bonds (distance) P-C4' energy: -38.166
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -23.524
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -187.811505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.811505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.811505 (E_RNA)
where:
Base-Base interactions energy: -78.543
where: short stacking energy: -57.815
Base-Backbone interact. energy: -0.540
local terms energy: -108.728889
where:
bonds (distance) C4'-P energy: -26.598
bonds (distance) P-C4' energy: -28.667
flat angles C4'-P-C4' energy: -32.575
flat angles P-C4'-P energy: -20.281
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: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -149.618880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.618880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.618880 (E_RNA)
where:
Base-Base interactions energy: -41.661
where: short stacking energy: -40.301
Base-Backbone interact. energy: -0.056
local terms energy: -107.901611
where:
bonds (distance) C4'-P energy: -24.539
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -20.821
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -140.124884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.124884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.124884 (E_RNA)
where:
Base-Base interactions energy: -39.882
where: short stacking energy: -30.341
Base-Backbone interact. energy: -1.107
local terms energy: -99.135242
where:
bonds (distance) C4'-P energy: -30.520
bonds (distance) P-C4' energy: -36.865
flat angles C4'-P-C4' energy: -24.517
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: 13.484
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: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -535.899291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.899291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.899291 (E_RNA)
where:
Base-Base interactions energy: -333.726
where: short stacking energy: -166.409
Base-Backbone interact. energy: -0.045
local terms energy: -202.128713
where:
bonds (distance) C4'-P energy: -38.081
bonds (distance) P-C4' energy: -40.136
flat angles C4'-P-C4' energy: -35.591
flat angles P-C4'-P energy: -29.213
tors. eta vs tors. theta energy: -59.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -515.889886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.889886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.889886 (E_RNA)
where:
Base-Base interactions energy: -336.542
where: short stacking energy: -142.723
Base-Backbone interact. energy: 0.846
local terms energy: -180.193415
where:
bonds (distance) C4'-P energy: -35.744
bonds (distance) P-C4' energy: -38.761
flat angles C4'-P-C4' energy: -36.034
flat angles P-C4'-P energy: -25.319
tors. eta vs tors. theta energy: -44.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -497.142707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.142707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.142707 (E_RNA)
where:
Base-Base interactions energy: -325.045
where: short stacking energy: -150.791
Base-Backbone interact. energy: -0.125
local terms energy: -171.972874
where:
bonds (distance) C4'-P energy: -29.639
bonds (distance) P-C4' energy: -30.919
flat angles C4'-P-C4' energy: -38.918
flat angles P-C4'-P energy: -25.242
tors. eta vs tors. theta energy: -47.255
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: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -442.830952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.830952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.830952 (E_RNA)
where:
Base-Base interactions energy: -287.933
where: short stacking energy: -128.368
Base-Backbone interact. energy: 2.144
local terms energy: -157.041406
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -30.768
flat angles C4'-P-C4' energy: -29.522
flat angles P-C4'-P energy: -24.915
tors. eta vs tors. theta energy: -41.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -407.144203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.144203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.144203 (E_RNA)
where:
Base-Base interactions energy: -253.058
where: short stacking energy: -106.098
Base-Backbone interact. energy: -1.167
local terms energy: -152.918919
where:
bonds (distance) C4'-P energy: -33.188
bonds (distance) P-C4' energy: -35.219
flat angles C4'-P-C4' energy: -29.233
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -33.270
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: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -329.553975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.553975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.553975 (E_RNA)
where:
Base-Base interactions energy: -190.711
where: short stacking energy: -82.239
Base-Backbone interact. energy: -0.066
local terms energy: -138.777840
where:
bonds (distance) C4'-P energy: -38.341
bonds (distance) P-C4' energy: -30.382
flat angles C4'-P-C4' energy: -32.003
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -25.641
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: 9
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -192.430504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.430504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.430504 (E_RNA)
where:
Base-Base interactions energy: -73.695
where: short stacking energy: -55.450
Base-Backbone interact. energy: -0.583
local terms energy: -118.152486
where:
bonds (distance) C4'-P energy: -25.796
bonds (distance) P-C4' energy: -34.671
flat angles C4'-P-C4' energy: -27.987
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -172.172586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.172586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.172586 (E_RNA)
where:
Base-Base interactions energy: -59.379
where: short stacking energy: -41.002
Base-Backbone interact. energy: 1.560
local terms energy: -114.354570
where:
bonds (distance) C4'-P energy: -26.411
bonds (distance) P-C4' energy: -33.191
flat angles C4'-P-C4' energy: -27.982
flat angles P-C4'-P energy: -17.275
tors. eta vs tors. theta energy: -9.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -157.873933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.873933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.873933 (E_RNA)
where:
Base-Base interactions energy: -47.637
where: short stacking energy: -38.482
Base-Backbone interact. energy: -0.783
local terms energy: -109.453769
where:
bonds (distance) C4'-P energy: -36.368
bonds (distance) P-C4' energy: -30.516
flat angles C4'-P-C4' energy: -27.393
flat angles P-C4'-P energy: -20.078
tors. eta vs tors. theta energy: 4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -147.001034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.001034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.001034 (E_RNA)
where:
Base-Base interactions energy: -44.257
where: short stacking energy: -37.302
Base-Backbone interact. energy: 1.283
local terms energy: -104.026552
where:
bonds (distance) C4'-P energy: -33.695
bonds (distance) P-C4' energy: -32.157
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -532.529957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.529957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.529957 (E_RNA)
where:
Base-Base interactions energy: -351.664
where: short stacking energy: -143.425
Base-Backbone interact. energy: -0.561
local terms energy: -180.304841
where:
bonds (distance) C4'-P energy: -35.154
bonds (distance) P-C4' energy: -35.028
flat angles C4'-P-C4' energy: -37.693
flat angles P-C4'-P energy: -28.431
tors. eta vs tors. theta energy: -43.999
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: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -530.083770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.083770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.083770 (E_RNA)
where:
Base-Base interactions energy: -344.707
where: short stacking energy: -151.813
Base-Backbone interact. energy: -0.131
local terms energy: -185.245581
where:
bonds (distance) C4'-P energy: -34.915
bonds (distance) P-C4' energy: -31.494
flat angles C4'-P-C4' energy: -34.257
flat angles P-C4'-P energy: -28.544
tors. eta vs tors. theta energy: -56.036
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: 4
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -453.616807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.616807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.616807 (E_RNA)
where:
Base-Base interactions energy: -294.691
where: short stacking energy: -136.558
Base-Backbone interact. energy: -0.107
local terms energy: -158.818989
where:
bonds (distance) C4'-P energy: -28.723
bonds (distance) P-C4' energy: -34.781
flat angles C4'-P-C4' energy: -38.529
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -35.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -478.423214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.423214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.423214 (E_RNA)
where:
Base-Base interactions energy: -307.584
where: short stacking energy: -143.007
Base-Backbone interact. energy: 0.591
local terms energy: -171.429422
where:
bonds (distance) C4'-P energy: -35.573
bonds (distance) P-C4' energy: -32.465
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -47.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -388.963884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.963884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.963884 (E_RNA)
where:
Base-Base interactions energy: -250.673
where: short stacking energy: -112.967
Base-Backbone interact. energy: -0.755
local terms energy: -137.536046
where:
bonds (distance) C4'-P energy: -29.966
bonds (distance) P-C4' energy: -29.345
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: -27.315
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: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -333.335116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.335116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.335116 (E_RNA)
where:
Base-Base interactions energy: -194.917
where: short stacking energy: -91.375
Base-Backbone interact. energy: -0.225
local terms energy: -138.192711
where:
bonds (distance) C4'-P energy: -31.127
bonds (distance) P-C4' energy: -37.277
flat angles C4'-P-C4' energy: -29.544
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -29.028
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: 9
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -193.694383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.694383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.694383 (E_RNA)
where:
Base-Base interactions energy: -96.350
where: short stacking energy: -49.897
Base-Backbone interact. energy: -0.601
local terms energy: -96.743289
where:
bonds (distance) C4'-P energy: -27.240
bonds (distance) P-C4' energy: -30.683
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: 3.649
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: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -172.945667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.945667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.945667 (E_RNA)
where:
Base-Base interactions energy: -66.165
where: short stacking energy: -49.350
Base-Backbone interact. energy: -2.224
local terms energy: -104.556746
where:
bonds (distance) C4'-P energy: -29.928
bonds (distance) P-C4' energy: -35.573
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: 0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -158.399797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.399797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.399797 (E_RNA)
where:
Base-Base interactions energy: -53.033
where: short stacking energy: -40.757
Base-Backbone interact. energy: 0.155
local terms energy: -105.521850
where:
bonds (distance) C4'-P energy: -29.091
bonds (distance) P-C4' energy: -35.387
flat angles C4'-P-C4' energy: -26.716
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -158.277654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.277654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.277654 (E_RNA)
where:
Base-Base interactions energy: -61.547
where: short stacking energy: -47.648
Base-Backbone interact. energy: 0.545
local terms energy: -97.275125
where:
bonds (distance) C4'-P energy: -31.000
bonds (distance) P-C4' energy: -24.231
flat angles C4'-P-C4' energy: -32.782
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: 0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -543.263355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.263355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.263355 (E_RNA)
where:
Base-Base interactions energy: -365.185
where: short stacking energy: -156.964
Base-Backbone interact. energy: -0.195
local terms energy: -177.883426
where:
bonds (distance) C4'-P energy: -32.597
bonds (distance) P-C4' energy: -34.360
flat angles C4'-P-C4' energy: -38.282
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -44.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -530.203256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.203256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.203256 (E_RNA)
where:
Base-Base interactions energy: -338.065
where: short stacking energy: -163.710
Base-Backbone interact. energy: -0.056
local terms energy: -192.082726
where:
bonds (distance) C4'-P energy: -38.033
bonds (distance) P-C4' energy: -33.120
flat angles C4'-P-C4' energy: -37.903
flat angles P-C4'-P energy: -28.764
tors. eta vs tors. theta energy: -54.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -457.296885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.296885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.296885 (E_RNA)
where:
Base-Base interactions energy: -284.948
where: short stacking energy: -132.126
Base-Backbone interact. energy: -0.133
local terms energy: -172.215422
where:
bonds (distance) C4'-P energy: -39.567
bonds (distance) P-C4' energy: -39.132
flat angles C4'-P-C4' energy: -28.603
flat angles P-C4'-P energy: -27.550
tors. eta vs tors. theta energy: -37.363
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: 6
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -485.531550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.531550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.531550 (E_RNA)
where:
Base-Base interactions energy: -312.868
where: short stacking energy: -140.592
Base-Backbone interact. energy: 0.824
local terms energy: -173.487042
where:
bonds (distance) C4'-P energy: -31.639
bonds (distance) P-C4' energy: -37.797
flat angles C4'-P-C4' energy: -36.624
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: -45.800
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: 189
Temperature: 1.100000
Total energy: -401.668934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.668934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.668934 (E_RNA)
where:
Base-Base interactions energy: -255.879
where: short stacking energy: -104.445
Base-Backbone interact. energy: 0.550
local terms energy: -146.340579
where:
bonds (distance) C4'-P energy: -36.177
bonds (distance) P-C4' energy: -34.083
flat angles C4'-P-C4' energy: -28.380
flat angles P-C4'-P energy: -22.860
tors. eta vs tors. theta energy: -24.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -316.755088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.755088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.755088 (E_RNA)
where:
Base-Base interactions energy: -190.533
where: short stacking energy: -77.954
Base-Backbone interact. energy: -0.619
local terms energy: -125.603544
where:
bonds (distance) C4'-P energy: -30.594
bonds (distance) P-C4' energy: -37.112
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: -7.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -216.386814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.386814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.386814 (E_RNA)
where:
Base-Base interactions energy: -106.261
where: short stacking energy: -65.855
Base-Backbone interact. energy: -0.768
local terms energy: -109.357645
where:
bonds (distance) C4'-P energy: -37.537
bonds (distance) P-C4' energy: -40.724
flat angles C4'-P-C4' energy: -27.432
flat angles P-C4'-P energy: -3.497
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -158.372680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.372680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.372680 (E_RNA)
where:
Base-Base interactions energy: -46.776
where: short stacking energy: -44.224
Base-Backbone interact. energy: -2.907
local terms energy: -108.689305
where:
bonds (distance) C4'-P energy: -36.302
bonds (distance) P-C4' energy: -23.900
flat angles C4'-P-C4' energy: -25.821
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -155.307693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.307693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.307693 (E_RNA)
where:
Base-Base interactions energy: -66.570
where: short stacking energy: -38.551
Base-Backbone interact. energy: -0.871
local terms energy: -87.867133
where:
bonds (distance) C4'-P energy: -32.599
bonds (distance) P-C4' energy: -28.445
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: 6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -158.355978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.355978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.355978 (E_RNA)
where:
Base-Base interactions energy: -66.295
where: short stacking energy: -41.807
Base-Backbone interact. energy: -2.053
local terms energy: -90.007614
where:
bonds (distance) C4'-P energy: -29.690
bonds (distance) P-C4' energy: -34.301
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -538.633340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.633340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.633340 (E_RNA)
where:
Base-Base interactions energy: -358.798
where: short stacking energy: -180.010
Base-Backbone interact. energy: -0.136
local terms energy: -179.699583
where:
bonds (distance) C4'-P energy: -33.501
bonds (distance) P-C4' energy: -31.348
flat angles C4'-P-C4' energy: -32.100
flat angles P-C4'-P energy: -25.371
tors. eta vs tors. theta energy: -57.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -521.515836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.515836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.515836 (E_RNA)
where:
Base-Base interactions energy: -345.129
where: short stacking energy: -141.659
Base-Backbone interact. energy: 0.974
local terms energy: -177.361360
where:
bonds (distance) C4'-P energy: -35.556
bonds (distance) P-C4' energy: -34.175
flat angles C4'-P-C4' energy: -39.770
flat angles P-C4'-P energy: -26.718
tors. eta vs tors. theta energy: -41.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -471.012565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.012565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.012565 (E_RNA)
where:
Base-Base interactions energy: -310.831
where: short stacking energy: -130.398
Base-Backbone interact. energy: -0.310
local terms energy: -159.871249
where:
bonds (distance) C4'-P energy: -26.288
bonds (distance) P-C4' energy: -37.426
flat angles C4'-P-C4' energy: -32.836
flat angles P-C4'-P energy: -20.075
tors. eta vs tors. theta energy: -43.247
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: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -457.652216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.652216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.652216 (E_RNA)
where:
Base-Base interactions energy: -287.254
where: short stacking energy: -135.976
Base-Backbone interact. energy: -0.409
local terms energy: -169.989515
where:
bonds (distance) C4'-P energy: -28.502
bonds (distance) P-C4' energy: -37.062
flat angles C4'-P-C4' energy: -41.757
flat angles P-C4'-P energy: -23.206
tors. eta vs tors. theta energy: -39.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -405.417052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.417052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.417052 (E_RNA)
where:
Base-Base interactions energy: -263.713
where: short stacking energy: -108.745
Base-Backbone interact. energy: -0.628
local terms energy: -141.076835
where:
bonds (distance) C4'-P energy: -31.406
bonds (distance) P-C4' energy: -31.572
flat angles C4'-P-C4' energy: -32.873
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -29.273
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: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -331.974659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.974659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.974659 (E_RNA)
where:
Base-Base interactions energy: -202.905
where: short stacking energy: -96.043
Base-Backbone interact. energy: -1.983
local terms energy: -127.087203
where:
bonds (distance) C4'-P energy: -35.936
bonds (distance) P-C4' energy: -34.570
flat angles C4'-P-C4' energy: -22.828
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -18.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -192.819634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.819634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.819634 (E_RNA)
where:
Base-Base interactions energy: -75.528
where: short stacking energy: -38.392
Base-Backbone interact. energy: -0.343
local terms energy: -116.948447
where:
bonds (distance) C4'-P energy: -35.458
bonds (distance) P-C4' energy: -30.538
flat angles C4'-P-C4' energy: -27.184
flat angles P-C4'-P energy: -25.011
tors. eta vs tors. theta energy: 1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -186.343616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.343616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.343616 (E_RNA)
where:
Base-Base interactions energy: -62.807
where: short stacking energy: -52.923
Base-Backbone interact. energy: -0.356
local terms energy: -123.180893
where:
bonds (distance) C4'-P energy: -31.507
bonds (distance) P-C4' energy: -32.960
flat angles C4'-P-C4' energy: -34.178
flat angles P-C4'-P energy: -21.268
tors. eta vs tors. theta energy: -3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -150.365658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.365658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.365658 (E_RNA)
where:
Base-Base interactions energy: -56.053
where: short stacking energy: -28.407
Base-Backbone interact. energy: -1.627
local terms energy: -92.685708
where:
bonds (distance) C4'-P energy: -29.011
bonds (distance) P-C4' energy: -37.875
flat angles C4'-P-C4' energy: -23.613
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: 7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -154.967262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.967262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.967262 (E_RNA)
where:
Base-Base interactions energy: -52.984
where: short stacking energy: -31.257
Base-Backbone interact. energy: -0.326
local terms energy: -101.657981
where:
bonds (distance) C4'-P energy: -29.369
bonds (distance) P-C4' energy: -28.550
flat angles C4'-P-C4' energy: -30.153
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: 3.704
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: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -545.890450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.890450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.890450 (E_RNA)
where:
Base-Base interactions energy: -361.855
where: short stacking energy: -168.975
Base-Backbone interact. energy: -0.053
local terms energy: -183.982341
where:
bonds (distance) C4'-P energy: -32.368
bonds (distance) P-C4' energy: -34.883
flat angles C4'-P-C4' energy: -39.404
flat angles P-C4'-P energy: -27.447
tors. eta vs tors. theta energy: -49.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -501.506395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.506395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.506395 (E_RNA)
where:
Base-Base interactions energy: -319.385
where: short stacking energy: -167.375
Base-Backbone interact. energy: -0.059
local terms energy: -182.063174
where:
bonds (distance) C4'-P energy: -36.082
bonds (distance) P-C4' energy: -38.192
flat angles C4'-P-C4' energy: -30.479
flat angles P-C4'-P energy: -26.677
tors. eta vs tors. theta energy: -50.632
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: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -502.966172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.966172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.966172 (E_RNA)
where:
Base-Base interactions energy: -337.359
where: short stacking energy: -144.771
Base-Backbone interact. energy: 4.689
local terms energy: -170.296411
where:
bonds (distance) C4'-P energy: -35.383
bonds (distance) P-C4' energy: -34.780
flat angles C4'-P-C4' energy: -32.216
flat angles P-C4'-P energy: -28.327
tors. eta vs tors. theta energy: -39.591
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: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -471.390604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.390604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.390604 (E_RNA)
where:
Base-Base interactions energy: -320.782
where: short stacking energy: -118.834
Base-Backbone interact. energy: -0.626
local terms energy: -149.982233
where:
bonds (distance) C4'-P energy: -26.843
bonds (distance) P-C4' energy: -34.035
flat angles C4'-P-C4' energy: -36.098
flat angles P-C4'-P energy: -19.275
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: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -454.338153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.338153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.338153 (E_RNA)
where:
Base-Base interactions energy: -290.847
where: short stacking energy: -130.867
Base-Backbone interact. energy: -0.291
local terms energy: -163.199997
where:
bonds (distance) C4'-P energy: -31.518
bonds (distance) P-C4' energy: -36.120
flat angles C4'-P-C4' energy: -34.447
flat angles P-C4'-P energy: -19.830
tors. eta vs tors. theta energy: -41.285
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: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -332.598505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.598505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.598505 (E_RNA)
where:
Base-Base interactions energy: -207.647
where: short stacking energy: -80.568
Base-Backbone interact. energy: -1.101
local terms energy: -123.850972
where:
bonds (distance) C4'-P energy: -25.647
bonds (distance) P-C4' energy: -26.291
flat angles C4'-P-C4' energy: -31.360
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -246.169027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.169027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.169027 (E_RNA)
where:
Base-Base interactions energy: -130.068
where: short stacking energy: -67.853
Base-Backbone interact. energy: -0.386
local terms energy: -115.714246
where:
bonds (distance) C4'-P energy: -30.902
bonds (distance) P-C4' energy: -30.278
flat angles C4'-P-C4' energy: -25.648
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -12.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -171.228434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.228434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.228434 (E_RNA)
where:
Base-Base interactions energy: -62.208
where: short stacking energy: -37.848
Base-Backbone interact. energy: 0.781
local terms energy: -109.802076
where:
bonds (distance) C4'-P energy: -31.939
bonds (distance) P-C4' energy: -31.532
flat angles C4'-P-C4' energy: -29.199
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -1.814
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: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -160.925251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.925251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.925251 (E_RNA)
where:
Base-Base interactions energy: -57.482
where: short stacking energy: -39.521
Base-Backbone interact. energy: -0.683
local terms energy: -102.760214
where:
bonds (distance) C4'-P energy: -31.652
bonds (distance) P-C4' energy: -28.917
flat angles C4'-P-C4' energy: -25.971
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: 0.603
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: 5
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -142.975460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.975460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.975460 (E_RNA)
where:
Base-Base interactions energy: -41.122
where: short stacking energy: -35.584
Base-Backbone interact. energy: -0.309
local terms energy: -101.544236
where:
bonds (distance) C4'-P energy: -28.512
bonds (distance) P-C4' energy: -33.985
flat angles C4'-P-C4' energy: -29.817
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: 1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -550.588933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.588933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.588933 (E_RNA)
where:
Base-Base interactions energy: -361.802
where: short stacking energy: -164.690
Base-Backbone interact. energy: -0.571
local terms energy: -188.216380
where:
bonds (distance) C4'-P energy: -35.716
bonds (distance) P-C4' energy: -37.716
flat angles C4'-P-C4' energy: -38.488
flat angles P-C4'-P energy: -23.591
tors. eta vs tors. theta energy: -52.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -510.921612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.921612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.921612 (E_RNA)
where:
Base-Base interactions energy: -331.958
where: short stacking energy: -161.346
Base-Backbone interact. energy: -0.027
local terms energy: -178.936350
where:
bonds (distance) C4'-P energy: -33.750
bonds (distance) P-C4' energy: -35.539
flat angles C4'-P-C4' energy: -36.426
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: -45.283
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: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -511.781424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.781424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.781424 (E_RNA)
where:
Base-Base interactions energy: -336.508
where: short stacking energy: -143.949
Base-Backbone interact. energy: -1.895
local terms energy: -173.378554
where:
bonds (distance) C4'-P energy: -30.518
bonds (distance) P-C4' energy: -35.237
flat angles C4'-P-C4' energy: -40.146
flat angles P-C4'-P energy: -26.656
tors. eta vs tors. theta energy: -40.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -489.755845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.755845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.755845 (E_RNA)
where:
Base-Base interactions energy: -335.027
where: short stacking energy: -136.581
Base-Backbone interact. energy: -0.606
local terms energy: -154.123049
where:
bonds (distance) C4'-P energy: -26.792
bonds (distance) P-C4' energy: -32.782
flat angles C4'-P-C4' energy: -35.000
flat angles P-C4'-P energy: -23.941
tors. eta vs tors. theta energy: -35.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -466.096268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.096268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.096268 (E_RNA)
where:
Base-Base interactions energy: -293.854
where: short stacking energy: -159.642
Base-Backbone interact. energy: -1.123
local terms energy: -171.119184
where:
bonds (distance) C4'-P energy: -34.108
bonds (distance) P-C4' energy: -28.915
flat angles C4'-P-C4' energy: -36.137
flat angles P-C4'-P energy: -23.443
tors. eta vs tors. theta energy: -48.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -334.434413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.434413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.434413 (E_RNA)
where:
Base-Base interactions energy: -200.862
where: short stacking energy: -96.637
Base-Backbone interact. energy: -0.442
local terms energy: -133.130058
where:
bonds (distance) C4'-P energy: -35.852
bonds (distance) P-C4' energy: -27.502
flat angles C4'-P-C4' energy: -35.801
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -22.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -192.971495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.971495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.971495 (E_RNA)
where:
Base-Base interactions energy: -86.105
where: short stacking energy: -56.433
Base-Backbone interact. energy: -0.194
local terms energy: -106.672780
where:
bonds (distance) C4'-P energy: -20.647
bonds (distance) P-C4' energy: -37.659
flat angles C4'-P-C4' energy: -28.792
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -228.124832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.124832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.124832 (E_RNA)
where:
Base-Base interactions energy: -114.777
where: short stacking energy: -67.629
Base-Backbone interact. energy: 0.790
local terms energy: -114.137362
where:
bonds (distance) C4'-P energy: -23.419
bonds (distance) P-C4' energy: -34.415
flat angles C4'-P-C4' energy: -26.638
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -15.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -146.425241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.425241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.425241 (E_RNA)
where:
Base-Base interactions energy: -47.565
where: short stacking energy: -41.840
Base-Backbone interact. energy: 2.221
local terms energy: -101.081143
where:
bonds (distance) C4'-P energy: -31.855
bonds (distance) P-C4' energy: -27.764
flat angles C4'-P-C4' energy: -29.693
flat angles P-C4'-P energy: -18.266
tors. eta vs tors. theta energy: 6.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -153.697623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.697623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.697623 (E_RNA)
where:
Base-Base interactions energy: -58.877
where: short stacking energy: -45.524
Base-Backbone interact. energy: -0.601
local terms energy: -94.218801
where:
bonds (distance) C4'-P energy: -31.134
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -24.296
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -545.782094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.782094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.782094 (E_RNA)
where:
Base-Base interactions energy: -345.154
where: short stacking energy: -171.665
Base-Backbone interact. energy: 2.062
local terms energy: -202.690796
where:
bonds (distance) C4'-P energy: -38.210
bonds (distance) P-C4' energy: -39.011
flat angles C4'-P-C4' energy: -42.856
flat angles P-C4'-P energy: -30.075
tors. eta vs tors. theta energy: -52.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -527.277942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.277942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.277942 (E_RNA)
where:
Base-Base interactions energy: -338.909
where: short stacking energy: -154.410
Base-Backbone interact. energy: -0.421
local terms energy: -187.947855
where:
bonds (distance) C4'-P energy: -40.604
bonds (distance) P-C4' energy: -34.913
flat angles C4'-P-C4' energy: -37.107
flat angles P-C4'-P energy: -31.707
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: 3, replica: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -445.018899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.018899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.018899 (E_RNA)
where:
Base-Base interactions energy: -280.896
where: short stacking energy: -137.741
Base-Backbone interact. energy: -0.297
local terms energy: -163.825689
where:
bonds (distance) C4'-P energy: -33.966
bonds (distance) P-C4' energy: -26.579
flat angles C4'-P-C4' energy: -32.372
flat angles P-C4'-P energy: -30.666
tors. eta vs tors. theta energy: -40.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -473.826904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.826904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.826904 (E_RNA)
where:
Base-Base interactions energy: -307.466
where: short stacking energy: -140.591
Base-Backbone interact. energy: -0.038
local terms energy: -166.322651
where:
bonds (distance) C4'-P energy: -33.226
bonds (distance) P-C4' energy: -32.423
flat angles C4'-P-C4' energy: -36.920
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: -42.980
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: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -457.397552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.397552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.397552 (E_RNA)
where:
Base-Base interactions energy: -313.361
where: short stacking energy: -126.056
Base-Backbone interact. energy: -0.294
local terms energy: -143.742287
where:
bonds (distance) C4'-P energy: -30.391
bonds (distance) P-C4' energy: -26.777
flat angles C4'-P-C4' energy: -36.258
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -29.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -323.626421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.626421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.626421 (E_RNA)
where:
Base-Base interactions energy: -201.750
where: short stacking energy: -88.951
Base-Backbone interact. energy: 0.203
local terms energy: -122.079095
where:
bonds (distance) C4'-P energy: -31.724
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -24.168
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -185.661751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.661751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.661751 (E_RNA)
where:
Base-Base interactions energy: -72.637
where: short stacking energy: -49.998
Base-Backbone interact. energy: 0.260
local terms energy: -113.284458
where:
bonds (distance) C4'-P energy: -31.841
bonds (distance) P-C4' energy: -36.624
flat angles C4'-P-C4' energy: -28.071
flat angles P-C4'-P energy: -20.498
tors. eta vs tors. theta energy: 3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -169.141538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.141538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.141538 (E_RNA)
where:
Base-Base interactions energy: -60.584
where: short stacking energy: -44.987
Base-Backbone interact. energy: -0.137
local terms energy: -108.420912
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -33.945
flat angles C4'-P-C4' energy: -28.471
flat angles P-C4'-P energy: -17.369
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: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -200.522342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.522342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.522342 (E_RNA)
where:
Base-Base interactions energy: -107.876
where: short stacking energy: -55.158
Base-Backbone interact. energy: -0.557
local terms energy: -92.090008
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -29.103
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -17.824
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -145.653809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.653809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.653809 (E_RNA)
where:
Base-Base interactions energy: -42.282
where: short stacking energy: -33.728
Base-Backbone interact. energy: 0.288
local terms energy: -103.660479
where:
bonds (distance) C4'-P energy: -34.758
bonds (distance) P-C4' energy: -28.833
flat angles C4'-P-C4' energy: -28.080
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: 1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -538.855076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.855076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.855076 (E_RNA)
where:
Base-Base interactions energy: -347.230
where: short stacking energy: -174.400
Base-Backbone interact. energy: -0.955
local terms energy: -190.669951
where:
bonds (distance) C4'-P energy: -33.779
bonds (distance) P-C4' energy: -36.402
flat angles C4'-P-C4' energy: -37.370
flat angles P-C4'-P energy: -25.524
tors. eta vs tors. theta energy: -57.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -513.287589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.287589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.287589 (E_RNA)
where:
Base-Base interactions energy: -337.009
where: short stacking energy: -144.044
Base-Backbone interact. energy: 0.813
local terms energy: -177.092333
where:
bonds (distance) C4'-P energy: -36.930
bonds (distance) P-C4' energy: -34.866
flat angles C4'-P-C4' energy: -31.541
flat angles P-C4'-P energy: -28.335
tors. eta vs tors. theta energy: -45.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -486.326636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.326636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.326636 (E_RNA)
where:
Base-Base interactions energy: -311.298
where: short stacking energy: -138.766
Base-Backbone interact. energy: -0.891
local terms energy: -174.137952
where:
bonds (distance) C4'-P energy: -32.507
bonds (distance) P-C4' energy: -33.782
flat angles C4'-P-C4' energy: -37.272
flat angles P-C4'-P energy: -25.279
tors. eta vs tors. theta energy: -45.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -448.747184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.747184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.747184 (E_RNA)
where:
Base-Base interactions energy: -285.385
where: short stacking energy: -139.510
Base-Backbone interact. energy: -0.407
local terms energy: -162.956073
where:
bonds (distance) C4'-P energy: -33.548
bonds (distance) P-C4' energy: -34.800
flat angles C4'-P-C4' energy: -38.559
flat angles P-C4'-P energy: -17.299
tors. eta vs tors. theta energy: -38.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -443.287556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.287556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.287556 (E_RNA)
where:
Base-Base interactions energy: -293.829
where: short stacking energy: -108.956
Base-Backbone interact. energy: -0.051
local terms energy: -149.407797
where:
bonds (distance) C4'-P energy: -31.391
bonds (distance) P-C4' energy: -35.812
flat angles C4'-P-C4' energy: -32.694
flat angles P-C4'-P energy: -24.451
tors. eta vs tors. theta energy: -25.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -295.873556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.873556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.873556 (E_RNA)
where:
Base-Base interactions energy: -183.177
where: short stacking energy: -73.972
Base-Backbone interact. energy: 3.432
local terms energy: -116.127769
where:
bonds (distance) C4'-P energy: -31.428
bonds (distance) P-C4' energy: -34.350
flat angles C4'-P-C4' energy: -30.288
flat angles P-C4'-P energy: -18.787
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: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -192.318696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.318696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.318696 (E_RNA)
where:
Base-Base interactions energy: -76.553
where: short stacking energy: -52.979
Base-Backbone interact. energy: 0.610
local terms energy: -116.376059
where:
bonds (distance) C4'-P energy: -31.652
bonds (distance) P-C4' energy: -28.721
flat angles C4'-P-C4' energy: -37.494
flat angles P-C4'-P energy: -21.907
tors. eta vs tors. theta energy: 3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -169.435793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.435793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.435793 (E_RNA)
where:
Base-Base interactions energy: -70.350
where: short stacking energy: -59.580
Base-Backbone interact. energy: -0.939
local terms energy: -98.146624
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -32.302
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -21.437
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -161.959056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.959056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.959056 (E_RNA)
where:
Base-Base interactions energy: -51.410
where: short stacking energy: -38.370
Base-Backbone interact. energy: 5.014
local terms energy: -115.563914
where:
bonds (distance) C4'-P energy: -33.440
bonds (distance) P-C4' energy: -24.604
flat angles C4'-P-C4' energy: -39.497
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -138.666740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.666740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.666740 (E_RNA)
where:
Base-Base interactions energy: -61.275
where: short stacking energy: -37.827
Base-Backbone interact. energy: 2.671
local terms energy: -80.062451
where:
bonds (distance) C4'-P energy: -30.126
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: 10.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -529.997836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.997836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.997836 (E_RNA)
where:
Base-Base interactions energy: -341.055
where: short stacking energy: -165.364
Base-Backbone interact. energy: -0.916
local terms energy: -188.027295
where:
bonds (distance) C4'-P energy: -34.632
bonds (distance) P-C4' energy: -38.282
flat angles C4'-P-C4' energy: -33.417
flat angles P-C4'-P energy: -26.048
tors. eta vs tors. theta energy: -55.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -516.068447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.068447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.068447 (E_RNA)
where:
Base-Base interactions energy: -343.443
where: short stacking energy: -150.292
Base-Backbone interact. energy: -0.525
local terms energy: -172.100153
where:
bonds (distance) C4'-P energy: -28.422
bonds (distance) P-C4' energy: -38.714
flat angles C4'-P-C4' energy: -39.457
flat angles P-C4'-P energy: -26.042
tors. eta vs tors. theta energy: -39.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -490.521549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.521549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.521549 (E_RNA)
where:
Base-Base interactions energy: -326.187
where: short stacking energy: -150.275
Base-Backbone interact. energy: -1.310
local terms energy: -163.024813
where:
bonds (distance) C4'-P energy: -30.707
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -34.393
flat angles P-C4'-P energy: -26.706
tors. eta vs tors. theta energy: -41.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -443.481119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.481119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.481119 (E_RNA)
where:
Base-Base interactions energy: -280.968
where: short stacking energy: -137.074
Base-Backbone interact. energy: -0.232
local terms energy: -162.281224
where:
bonds (distance) C4'-P energy: -31.954
bonds (distance) P-C4' energy: -30.177
flat angles C4'-P-C4' energy: -34.972
flat angles P-C4'-P energy: -22.290
tors. eta vs tors. theta energy: -42.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -431.690774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.690774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.690774 (E_RNA)
where:
Base-Base interactions energy: -288.903
where: short stacking energy: -107.780
Base-Backbone interact. energy: 0.408
local terms energy: -143.195342
where:
bonds (distance) C4'-P energy: -38.655
bonds (distance) P-C4' energy: -33.609
flat angles C4'-P-C4' energy: -33.157
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -26.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -363.144970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.144970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.144970 (E_RNA)
where:
Base-Base interactions energy: -215.788
where: short stacking energy: -96.809
Base-Backbone interact. energy: -0.250
local terms energy: -147.107155
where:
bonds (distance) C4'-P energy: -30.360
bonds (distance) P-C4' energy: -29.619
flat angles C4'-P-C4' energy: -36.467
flat angles P-C4'-P energy: -22.209
tors. eta vs tors. theta energy: -28.453
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: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -177.862959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.862959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.862959 (E_RNA)
where:
Base-Base interactions energy: -65.421
where: short stacking energy: -52.703
Base-Backbone interact. energy: 0.032
local terms energy: -112.473556
where:
bonds (distance) C4'-P energy: -27.827
bonds (distance) P-C4' energy: -37.257
flat angles C4'-P-C4' energy: -27.983
flat angles P-C4'-P energy: -15.904
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -166.210228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.210228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.210228 (E_RNA)
where:
Base-Base interactions energy: -64.436
where: short stacking energy: -55.480
Base-Backbone interact. energy: -0.251
local terms energy: -101.523191
where:
bonds (distance) C4'-P energy: -31.515
bonds (distance) P-C4' energy: -29.995
flat angles C4'-P-C4' energy: -24.821
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -1.548
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: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -179.934614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.934614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.934614 (E_RNA)
where:
Base-Base interactions energy: -59.985
where: short stacking energy: -43.434
Base-Backbone interact. energy: 1.863
local terms energy: -121.813500
where:
bonds (distance) C4'-P energy: -33.304
bonds (distance) P-C4' energy: -33.808
flat angles C4'-P-C4' energy: -26.269
flat angles P-C4'-P energy: -26.999
tors. eta vs tors. theta energy: -1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -153.691452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.691452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.691452 (E_RNA)
where:
Base-Base interactions energy: -49.236
where: short stacking energy: -36.130
Base-Backbone interact. energy: 0.233
local terms energy: -104.687741
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -32.332
flat angles C4'-P-C4' energy: -27.351
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: 1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -537.899870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.899870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.899870 (E_RNA)
where:
Base-Base interactions energy: -344.823
where: short stacking energy: -154.451
Base-Backbone interact. energy: -1.527
local terms energy: -191.549181
where:
bonds (distance) C4'-P energy: -36.586
bonds (distance) P-C4' energy: -37.336
flat angles C4'-P-C4' energy: -39.173
flat angles P-C4'-P energy: -27.692
tors. eta vs tors. theta energy: -50.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -515.824598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.824598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.824598 (E_RNA)
where:
Base-Base interactions energy: -340.889
where: short stacking energy: -146.843
Base-Backbone interact. energy: -0.453
local terms energy: -174.482452
where:
bonds (distance) C4'-P energy: -32.946
bonds (distance) P-C4' energy: -34.071
flat angles C4'-P-C4' energy: -39.925
flat angles P-C4'-P energy: -25.460
tors. eta vs tors. theta energy: -42.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -509.003532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.003532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.003532 (E_RNA)
where:
Base-Base interactions energy: -323.325
where: short stacking energy: -155.372
Base-Backbone interact. energy: 0.029
local terms energy: -185.707471
where:
bonds (distance) C4'-P energy: -37.451
bonds (distance) P-C4' energy: -39.815
flat angles C4'-P-C4' energy: -33.068
flat angles P-C4'-P energy: -26.578
tors. eta vs tors. theta energy: -48.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -426.595181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.595181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.595181 (E_RNA)
where:
Base-Base interactions energy: -249.559
where: short stacking energy: -126.029
Base-Backbone interact. energy: 0.557
local terms energy: -177.593360
where:
bonds (distance) C4'-P energy: -31.394
bonds (distance) P-C4' energy: -36.775
flat angles C4'-P-C4' energy: -33.803
flat angles P-C4'-P energy: -29.022
tors. eta vs tors. theta energy: -46.599
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: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -434.208354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.208354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.208354 (E_RNA)
where:
Base-Base interactions energy: -299.371
where: short stacking energy: -114.498
Base-Backbone interact. energy: 0.953
local terms energy: -135.790813
where:
bonds (distance) C4'-P energy: -32.811
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -39.713
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -28.860
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: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -355.212193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.212193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.212193 (E_RNA)
where:
Base-Base interactions energy: -207.110
where: short stacking energy: -98.340
Base-Backbone interact. energy: 1.296
local terms energy: -149.398589
where:
bonds (distance) C4'-P energy: -36.740
bonds (distance) P-C4' energy: -32.870
flat angles C4'-P-C4' energy: -31.060
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -30.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -216.937698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.937698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.937698 (E_RNA)
where:
Base-Base interactions energy: -84.955
where: short stacking energy: -50.690
Base-Backbone interact. energy: -0.400
local terms energy: -131.582964
where:
bonds (distance) C4'-P energy: -39.362
bonds (distance) P-C4' energy: -33.402
flat angles C4'-P-C4' energy: -30.153
flat angles P-C4'-P energy: -18.640
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: 8, replica: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -165.494693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.494693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.494693 (E_RNA)
where:
Base-Base interactions energy: -56.037
where: short stacking energy: -55.691
Base-Backbone interact. energy: -0.150
local terms energy: -109.307623
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -31.315
flat angles P-C4'-P energy: -25.637
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -157.263677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.263677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.263677 (E_RNA)
where:
Base-Base interactions energy: -53.366
where: short stacking energy: -35.446
Base-Backbone interact. energy: -1.293
local terms energy: -102.604671
where:
bonds (distance) C4'-P energy: -32.149
bonds (distance) P-C4' energy: -37.192
flat angles C4'-P-C4' energy: -27.765
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: 8.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -159.109947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.109947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.109947 (E_RNA)
where:
Base-Base interactions energy: -46.438
where: short stacking energy: -41.282
Base-Backbone interact. energy: 2.179
local terms energy: -114.850452
where:
bonds (distance) C4'-P energy: -26.954
bonds (distance) P-C4' energy: -32.824
flat angles C4'-P-C4' energy: -28.086
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -4.768
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: 197
Temperature: 0.900000
Total energy: -548.904280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.904280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.904280 (E_RNA)
where:
Base-Base interactions energy: -357.237
where: short stacking energy: -165.261
Base-Backbone interact. energy: -0.078
local terms energy: -191.589428
where:
bonds (distance) C4'-P energy: -36.925
bonds (distance) P-C4' energy: -33.512
flat angles C4'-P-C4' energy: -41.731
flat angles P-C4'-P energy: -25.791
tors. eta vs tors. theta energy: -53.630
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: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -515.743986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.743986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.743986 (E_RNA)
where:
Base-Base interactions energy: -332.912
where: short stacking energy: -148.140
Base-Backbone interact. energy: -0.724
local terms energy: -182.108185
where:
bonds (distance) C4'-P energy: -31.419
bonds (distance) P-C4' energy: -36.626
flat angles C4'-P-C4' energy: -37.765
flat angles P-C4'-P energy: -33.391
tors. eta vs tors. theta energy: -42.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -506.762256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.762256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.762256 (E_RNA)
where:
Base-Base interactions energy: -325.509
where: short stacking energy: -151.214
Base-Backbone interact. energy: -1.561
local terms energy: -179.691993
where:
bonds (distance) C4'-P energy: -32.704
bonds (distance) P-C4' energy: -32.394
flat angles C4'-P-C4' energy: -39.438
flat angles P-C4'-P energy: -25.797
tors. eta vs tors. theta energy: -49.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -439.674511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.674511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.674511 (E_RNA)
where:
Base-Base interactions energy: -292.372
where: short stacking energy: -112.214
Base-Backbone interact. energy: -0.847
local terms energy: -146.455623
where:
bonds (distance) C4'-P energy: -26.457
bonds (distance) P-C4' energy: -31.765
flat angles C4'-P-C4' energy: -31.535
flat angles P-C4'-P energy: -25.942
tors. eta vs tors. theta energy: -30.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -406.019922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.019922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.019922 (E_RNA)
where:
Base-Base interactions energy: -239.631
where: short stacking energy: -121.114
Base-Backbone interact. energy: -0.920
local terms energy: -165.468637
where:
bonds (distance) C4'-P energy: -31.746
bonds (distance) P-C4' energy: -37.801
flat angles C4'-P-C4' energy: -36.119
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -39.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -334.049820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.049820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.049820 (E_RNA)
where:
Base-Base interactions energy: -188.854
where: short stacking energy: -80.230
Base-Backbone interact. energy: -2.006
local terms energy: -143.189511
where:
bonds (distance) C4'-P energy: -31.761
bonds (distance) P-C4' energy: -37.104
flat angles C4'-P-C4' energy: -28.311
flat angles P-C4'-P energy: -22.801
tors. eta vs tors. theta energy: -23.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -172.005670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.005670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.005670 (E_RNA)
where:
Base-Base interactions energy: -63.264
where: short stacking energy: -50.915
Base-Backbone interact. energy: -0.572
local terms energy: -108.169278
where:
bonds (distance) C4'-P energy: -29.170
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -171.709423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.709423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.709423 (E_RNA)
where:
Base-Base interactions energy: -67.015
where: short stacking energy: -43.002
Base-Backbone interact. energy: -0.623
local terms energy: -104.071260
where:
bonds (distance) C4'-P energy: -29.479
bonds (distance) P-C4' energy: -35.967
flat angles C4'-P-C4' energy: -28.930
flat angles P-C4'-P energy: -20.603
tors. eta vs tors. theta energy: 10.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -159.781563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.781563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.781563 (E_RNA)
where:
Base-Base interactions energy: -59.690
where: short stacking energy: -56.969
Base-Backbone interact. energy: 0.338
local terms energy: -100.429020
where:
bonds (distance) C4'-P energy: -23.341
bonds (distance) P-C4' energy: -30.521
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -172.426477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.426477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.426477 (E_RNA)
where:
Base-Base interactions energy: -71.140
where: short stacking energy: -40.612
Base-Backbone interact. energy: -0.364
local terms energy: -100.922880
where:
bonds (distance) C4'-P energy: -33.177
bonds (distance) P-C4' energy: -32.686
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -535.277794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.277794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.277794 (E_RNA)
where:
Base-Base interactions energy: -334.177
where: short stacking energy: -162.184
Base-Backbone interact. energy: -0.824
local terms energy: -200.276780
where:
bonds (distance) C4'-P energy: -36.177
bonds (distance) P-C4' energy: -33.802
flat angles C4'-P-C4' energy: -42.195
flat angles P-C4'-P energy: -29.875
tors. eta vs tors. theta energy: -58.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -510.344936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.344936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.344936 (E_RNA)
where:
Base-Base interactions energy: -340.659
where: short stacking energy: -146.032
Base-Backbone interact. energy: -0.376
local terms energy: -169.309820
where:
bonds (distance) C4'-P energy: -33.462
bonds (distance) P-C4' energy: -31.088
flat angles C4'-P-C4' energy: -34.789
flat angles P-C4'-P energy: -24.097
tors. eta vs tors. theta energy: -45.873
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: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -485.611164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.611164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.611164 (E_RNA)
where:
Base-Base interactions energy: -324.206
where: short stacking energy: -151.280
Base-Backbone interact. energy: -0.090
local terms energy: -161.315270
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -24.590
flat angles C4'-P-C4' energy: -32.975
flat angles P-C4'-P energy: -23.231
tors. eta vs tors. theta energy: -52.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -438.145364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.145364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.145364 (E_RNA)
where:
Base-Base interactions energy: -293.545
where: short stacking energy: -121.649
Base-Backbone interact. energy: -0.315
local terms energy: -144.284994
where:
bonds (distance) C4'-P energy: -25.078
bonds (distance) P-C4' energy: -29.093
flat angles C4'-P-C4' energy: -34.064
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: -30.296
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: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -374.703199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.703199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.703199 (E_RNA)
where:
Base-Base interactions energy: -220.330
where: short stacking energy: -110.842
Base-Backbone interact. energy: 2.183
local terms energy: -156.555879
where:
bonds (distance) C4'-P energy: -35.141
bonds (distance) P-C4' energy: -36.054
flat angles C4'-P-C4' energy: -30.894
flat angles P-C4'-P energy: -23.829
tors. eta vs tors. theta energy: -30.638
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: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -342.990122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.990122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.990122 (E_RNA)
where:
Base-Base interactions energy: -212.377
where: short stacking energy: -101.181
Base-Backbone interact. energy: 0.478
local terms energy: -131.091552
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -33.332
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: -26.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -185.489781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.489781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.489781 (E_RNA)
where:
Base-Base interactions energy: -70.311
where: short stacking energy: -50.650
Base-Backbone interact. energy: -1.475
local terms energy: -113.703600
where:
bonds (distance) C4'-P energy: -32.503
bonds (distance) P-C4' energy: -38.855
flat angles C4'-P-C4' energy: -25.330
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: 0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -189.216552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.216552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.216552 (E_RNA)
where:
Base-Base interactions energy: -91.853
where: short stacking energy: -47.944
Base-Backbone interact. energy: -0.536
local terms energy: -96.827566
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -32.655
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -175.857279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.857279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.857279 (E_RNA)
where:
Base-Base interactions energy: -58.583
where: short stacking energy: -58.583
Base-Backbone interact. energy: 1.464
local terms energy: -118.738231
where:
bonds (distance) C4'-P energy: -25.013
bonds (distance) P-C4' energy: -34.866
flat angles C4'-P-C4' energy: -30.032
flat angles P-C4'-P energy: -22.191
tors. eta vs tors. theta energy: -6.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -143.287977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.287977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.287977 (E_RNA)
where:
Base-Base interactions energy: -48.383
where: short stacking energy: -41.076
Base-Backbone interact. energy: -0.121
local terms energy: -94.784552
where:
bonds (distance) C4'-P energy: -28.330
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -32.005
flat angles P-C4'-P energy: -17.187
tors. eta vs tors. theta energy: 7.753
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: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -542.308702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.308702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.308702 (E_RNA)
where:
Base-Base interactions energy: -355.762
where: short stacking energy: -166.986
Base-Backbone interact. energy: -0.122
local terms energy: -186.424637
where:
bonds (distance) C4'-P energy: -37.346
bonds (distance) P-C4' energy: -35.480
flat angles C4'-P-C4' energy: -42.327
flat angles P-C4'-P energy: -17.657
tors. eta vs tors. theta energy: -53.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -491.042844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.042844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.042844 (E_RNA)
where:
Base-Base interactions energy: -321.901
where: short stacking energy: -145.448
Base-Backbone interact. energy: -0.752
local terms energy: -168.389909
where:
bonds (distance) C4'-P energy: -31.830
bonds (distance) P-C4' energy: -36.783
flat angles C4'-P-C4' energy: -38.232
flat angles P-C4'-P energy: -21.747
tors. eta vs tors. theta energy: -39.798
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: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -509.743793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.743793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.743793 (E_RNA)
where:
Base-Base interactions energy: -344.595
where: short stacking energy: -147.812
Base-Backbone interact. energy: 2.751
local terms energy: -167.900589
where:
bonds (distance) C4'-P energy: -28.891
bonds (distance) P-C4' energy: -33.052
flat angles C4'-P-C4' energy: -34.391
flat angles P-C4'-P energy: -27.616
tors. eta vs tors. theta energy: -43.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -389.758154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.758154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.758154 (E_RNA)
where:
Base-Base interactions energy: -239.560
where: short stacking energy: -115.639
Base-Backbone interact. energy: 0.875
local terms energy: -151.072845
where:
bonds (distance) C4'-P energy: -36.195
bonds (distance) P-C4' energy: -31.009
flat angles C4'-P-C4' energy: -36.045
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -29.701
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: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -404.523896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.523896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.523896 (E_RNA)
where:
Base-Base interactions energy: -270.513
where: short stacking energy: -113.001
Base-Backbone interact. energy: -0.985
local terms energy: -133.025690
where:
bonds (distance) C4'-P energy: -29.261
bonds (distance) P-C4' energy: -25.903
flat angles C4'-P-C4' energy: -29.278
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -27.927
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: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -339.824671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.824671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.824671 (E_RNA)
where:
Base-Base interactions energy: -221.099
where: short stacking energy: -99.716
Base-Backbone interact. energy: -0.314
local terms energy: -118.411682
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -29.919
flat angles C4'-P-C4' energy: -31.097
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -209.434404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.434404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.434404 (E_RNA)
where:
Base-Base interactions energy: -90.878
where: short stacking energy: -77.071
Base-Backbone interact. energy: -0.284
local terms energy: -118.272973
where:
bonds (distance) C4'-P energy: -24.983
bonds (distance) P-C4' energy: -26.672
flat angles C4'-P-C4' energy: -31.386
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -187.627989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.627989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.627989 (E_RNA)
where:
Base-Base interactions energy: -78.541
where: short stacking energy: -41.377
Base-Backbone interact. energy: 1.422
local terms energy: -110.508570
where:
bonds (distance) C4'-P energy: -35.837
bonds (distance) P-C4' energy: -33.657
flat angles C4'-P-C4' energy: -23.977
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -3.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -196.975889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.975889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.975889 (E_RNA)
where:
Base-Base interactions energy: -90.818
where: short stacking energy: -46.988
Base-Backbone interact. energy: -0.845
local terms energy: -105.312392
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -37.426
flat angles C4'-P-C4' energy: -26.386
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: 0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -151.512221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.512221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.512221 (E_RNA)
where:
Base-Base interactions energy: -51.267
where: short stacking energy: -35.193
Base-Backbone interact. energy: -0.652
local terms energy: -99.593238
where:
bonds (distance) C4'-P energy: -28.740
bonds (distance) P-C4' energy: -34.673
flat angles C4'-P-C4' energy: -23.065
flat angles P-C4'-P energy: -16.839
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: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -562.050723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.050723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.050723 (E_RNA)
where:
Base-Base interactions energy: -366.092
where: short stacking energy: -165.063
Base-Backbone interact. energy: -1.345
local terms energy: -194.613787
where:
bonds (distance) C4'-P energy: -34.903
bonds (distance) P-C4' energy: -37.531
flat angles C4'-P-C4' energy: -38.712
flat angles P-C4'-P energy: -27.701
tors. eta vs tors. theta energy: -55.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -506.724471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.724471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.724471 (E_RNA)
where:
Base-Base interactions energy: -340.897
where: short stacking energy: -161.447
Base-Backbone interact. energy: -0.741
local terms energy: -165.086487
where:
bonds (distance) C4'-P energy: -33.860
bonds (distance) P-C4' energy: -26.197
flat angles C4'-P-C4' energy: -35.196
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -48.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -505.420223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.420223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.420223 (E_RNA)
where:
Base-Base interactions energy: -341.034
where: short stacking energy: -128.442
Base-Backbone interact. energy: 0.749
local terms energy: -165.135552
where:
bonds (distance) C4'-P energy: -30.128
bonds (distance) P-C4' energy: -32.714
flat angles C4'-P-C4' energy: -38.736
flat angles P-C4'-P energy: -26.087
tors. eta vs tors. theta energy: -37.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -396.881320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.881320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.881320 (E_RNA)
where:
Base-Base interactions energy: -259.258
where: short stacking energy: -129.165
Base-Backbone interact. energy: -0.093
local terms energy: -137.530126
where:
bonds (distance) C4'-P energy: -26.339
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -33.268
flat angles P-C4'-P energy: -27.437
tors. eta vs tors. theta energy: -29.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -420.383795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.383795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.383795 (E_RNA)
where:
Base-Base interactions energy: -265.478
where: short stacking energy: -126.061
Base-Backbone interact. energy: -1.074
local terms energy: -153.831798
where:
bonds (distance) C4'-P energy: -37.814
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -34.575
flat angles P-C4'-P energy: -19.486
tors. eta vs tors. theta energy: -31.497
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: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -371.923094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.923094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.923094 (E_RNA)
where:
Base-Base interactions energy: -246.174
where: short stacking energy: -102.910
Base-Backbone interact. energy: 0.552
local terms energy: -126.300505
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -29.656
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -29.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -202.221207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.221207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.221207 (E_RNA)
where:
Base-Base interactions energy: -90.075
where: short stacking energy: -40.095
Base-Backbone interact. energy: -0.220
local terms energy: -111.925396
where:
bonds (distance) C4'-P energy: -30.945
bonds (distance) P-C4' energy: -24.967
flat angles C4'-P-C4' energy: -23.429
flat angles P-C4'-P energy: -27.217
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -167.709121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.709121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.709121 (E_RNA)
where:
Base-Base interactions energy: -63.636
where: short stacking energy: -42.229
Base-Backbone interact. energy: -1.349
local terms energy: -102.724476
where:
bonds (distance) C4'-P energy: -33.601
bonds (distance) P-C4' energy: -28.715
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -20.677
tors. eta vs tors. theta energy: 3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -162.501168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.501168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.501168 (E_RNA)
where:
Base-Base interactions energy: -49.542
where: short stacking energy: -41.638
Base-Backbone interact. energy: -0.985
local terms energy: -111.974086
where:
bonds (distance) C4'-P energy: -32.231
bonds (distance) P-C4' energy: -34.898
flat angles C4'-P-C4' energy: -29.516
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -4.386
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: 10, replica: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -152.921383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.921383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.921383 (E_RNA)
where:
Base-Base interactions energy: -46.171
where: short stacking energy: -38.447
Base-Backbone interact. energy: -0.727
local terms energy: -106.023396
where:
bonds (distance) C4'-P energy: -29.867
bonds (distance) P-C4' energy: -35.306
flat angles C4'-P-C4' energy: -24.083
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: 0.638
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: 201
Temperature: 0.900000
Total energy: -562.019729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.019729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.019729 (E_RNA)
where:
Base-Base interactions energy: -357.437
where: short stacking energy: -166.243
Base-Backbone interact. energy: -0.854
local terms energy: -203.729117
where:
bonds (distance) C4'-P energy: -35.759
bonds (distance) P-C4' energy: -36.400
flat angles C4'-P-C4' energy: -40.835
flat angles P-C4'-P energy: -33.525
tors. eta vs tors. theta energy: -57.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -499.770591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.770591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.770591 (E_RNA)
where:
Base-Base interactions energy: -331.322
where: short stacking energy: -143.160
Base-Backbone interact. energy: -0.192
local terms energy: -168.256283
where:
bonds (distance) C4'-P energy: -32.652
bonds (distance) P-C4' energy: -35.755
flat angles C4'-P-C4' energy: -37.664
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -41.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -503.328685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.328685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.328685 (E_RNA)
where:
Base-Base interactions energy: -349.027
where: short stacking energy: -139.589
Base-Backbone interact. energy: 1.805
local terms energy: -156.106629
where:
bonds (distance) C4'-P energy: -38.989
bonds (distance) P-C4' energy: -31.530
flat angles C4'-P-C4' energy: -33.309
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -35.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -433.010288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.010288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.010288 (E_RNA)
where:
Base-Base interactions energy: -277.654
where: short stacking energy: -121.473
Base-Backbone interact. energy: -0.433
local terms energy: -154.923568
where:
bonds (distance) C4'-P energy: -26.872
bonds (distance) P-C4' energy: -39.887
flat angles C4'-P-C4' energy: -30.408
flat angles P-C4'-P energy: -25.357
tors. eta vs tors. theta energy: -32.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -379.532237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.532237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.532237 (E_RNA)
where:
Base-Base interactions energy: -230.184
where: short stacking energy: -116.473
Base-Backbone interact. energy: -0.136
local terms energy: -149.211824
where:
bonds (distance) C4'-P energy: -34.011
bonds (distance) P-C4' energy: -35.384
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -25.887
tors. eta vs tors. theta energy: -30.827
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: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -370.840447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.840447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.840447 (E_RNA)
where:
Base-Base interactions energy: -224.697
where: short stacking energy: -76.769
Base-Backbone interact. energy: -0.176
local terms energy: -145.966807
where:
bonds (distance) C4'-P energy: -36.159
bonds (distance) P-C4' energy: -33.574
flat angles C4'-P-C4' energy: -34.698
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -24.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -186.523503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.523503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.523503 (E_RNA)
where:
Base-Base interactions energy: -78.438
where: short stacking energy: -59.538
Base-Backbone interact. energy: -0.188
local terms energy: -107.896978
where:
bonds (distance) C4'-P energy: -24.528
bonds (distance) P-C4' energy: -36.836
flat angles C4'-P-C4' energy: -30.258
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: 1.790
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: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -174.172887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.172887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.172887 (E_RNA)
where:
Base-Base interactions energy: -73.217
where: short stacking energy: -50.714
Base-Backbone interact. energy: -1.175
local terms energy: -99.780873
where:
bonds (distance) C4'-P energy: -34.578
bonds (distance) P-C4' energy: -30.931
flat angles C4'-P-C4' energy: -24.352
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: 1.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -166.878477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.878477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.878477 (E_RNA)
where:
Base-Base interactions energy: -57.681
where: short stacking energy: -52.336
Base-Backbone interact. energy: -0.242
local terms energy: -108.954955
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -35.580
flat angles C4'-P-C4' energy: -33.925
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -5.642
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: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -143.930739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.930739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.930739 (E_RNA)
where:
Base-Base interactions energy: -49.074
where: short stacking energy: -44.501
Base-Backbone interact. energy: -0.625
local terms energy: -94.231701
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -28.235
flat angles C4'-P-C4' energy: -25.189
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: 0.837
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: 202
Temperature: 0.900000
Total energy: -560.692183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.692183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.692183 (E_RNA)
where:
Base-Base interactions energy: -362.371
where: short stacking energy: -168.627
Base-Backbone interact. energy: -1.930
local terms energy: -196.391323
where:
bonds (distance) C4'-P energy: -40.242
bonds (distance) P-C4' energy: -33.307
flat angles C4'-P-C4' energy: -40.692
flat angles P-C4'-P energy: -26.016
tors. eta vs tors. theta energy: -56.135
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: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -476.657085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.657085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.657085 (E_RNA)
where:
Base-Base interactions energy: -303.963
where: short stacking energy: -125.448
Base-Backbone interact. energy: 0.675
local terms energy: -173.368410
where:
bonds (distance) C4'-P energy: -31.489
bonds (distance) P-C4' energy: -33.964
flat angles C4'-P-C4' energy: -38.548
flat angles P-C4'-P energy: -24.474
tors. eta vs tors. theta energy: -44.894
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: 202
Temperature: 1.000000
Total energy: -498.391702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.391702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.391702 (E_RNA)
where:
Base-Base interactions energy: -336.683
where: short stacking energy: -127.894
Base-Backbone interact. energy: -1.615
local terms energy: -160.094197
where:
bonds (distance) C4'-P energy: -28.407
bonds (distance) P-C4' energy: -32.379
flat angles C4'-P-C4' energy: -31.325
flat angles P-C4'-P energy: -26.792
tors. eta vs tors. theta energy: -41.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -436.814324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.814324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.814324 (E_RNA)
where:
Base-Base interactions energy: -284.056
where: short stacking energy: -128.754
Base-Backbone interact. energy: -0.111
local terms energy: -152.647580
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -33.911
flat angles C4'-P-C4' energy: -35.179
flat angles P-C4'-P energy: -26.872
tors. eta vs tors. theta energy: -34.746
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: 5, replica: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -355.350398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.350398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.350398 (E_RNA)
where:
Base-Base interactions energy: -215.474
where: short stacking energy: -108.891
Base-Backbone interact. energy: -0.059
local terms energy: -139.817426
where:
bonds (distance) C4'-P energy: -28.208
bonds (distance) P-C4' energy: -33.445
flat angles C4'-P-C4' energy: -29.824
flat angles P-C4'-P energy: -21.557
tors. eta vs tors. theta energy: -26.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -366.533144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.533144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.533144 (E_RNA)
where:
Base-Base interactions energy: -226.186
where: short stacking energy: -100.204
Base-Backbone interact. energy: -1.178
local terms energy: -139.169140
where:
bonds (distance) C4'-P energy: -31.797
bonds (distance) P-C4' energy: -26.550
flat angles C4'-P-C4' energy: -30.758
flat angles P-C4'-P energy: -18.984
tors. eta vs tors. theta energy: -31.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -193.773651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.773651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.773651 (E_RNA)
where:
Base-Base interactions energy: -77.168
where: short stacking energy: -47.443
Base-Backbone interact. energy: -0.404
local terms energy: -116.202506
where:
bonds (distance) C4'-P energy: -30.891
bonds (distance) P-C4' energy: -30.853
flat angles C4'-P-C4' energy: -32.545
flat angles P-C4'-P energy: -20.809
tors. eta vs tors. theta energy: -1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -189.319169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.319169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.319169 (E_RNA)
where:
Base-Base interactions energy: -90.739
where: short stacking energy: -58.837
Base-Backbone interact. energy: -1.458
local terms energy: -97.121561
where:
bonds (distance) C4'-P energy: -29.348
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -23.958
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -158.423909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.423909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.423909 (E_RNA)
where:
Base-Base interactions energy: -58.687
where: short stacking energy: -56.262
Base-Backbone interact. energy: -1.061
local terms energy: -98.675881
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -35.517
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: 1.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -166.749368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.749368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.749368 (E_RNA)
where:
Base-Base interactions energy: -62.592
where: short stacking energy: -44.738
Base-Backbone interact. energy: -0.498
local terms energy: -103.659434
where:
bonds (distance) C4'-P energy: -28.803
bonds (distance) P-C4' energy: -33.670
flat angles C4'-P-C4' energy: -33.147
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -0.929
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: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -558.121396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.121396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.121396 (E_RNA)
where:
Base-Base interactions energy: -357.528
where: short stacking energy: -172.101
Base-Backbone interact. energy: -0.418
local terms energy: -200.175593
where:
bonds (distance) C4'-P energy: -32.948
bonds (distance) P-C4' energy: -34.706
flat angles C4'-P-C4' energy: -42.464
flat angles P-C4'-P energy: -29.423
tors. eta vs tors. theta energy: -60.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -513.741018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.741018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.741018 (E_RNA)
where:
Base-Base interactions energy: -345.935
where: short stacking energy: -150.277
Base-Backbone interact. energy: -0.666
local terms energy: -167.139790
where:
bonds (distance) C4'-P energy: -31.190
bonds (distance) P-C4' energy: -30.252
flat angles C4'-P-C4' energy: -34.722
flat angles P-C4'-P energy: -27.898
tors. eta vs tors. theta energy: -43.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -476.089644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.089644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.089644 (E_RNA)
where:
Base-Base interactions energy: -311.774
where: short stacking energy: -128.696
Base-Backbone interact. energy: 0.051
local terms energy: -164.367053
where:
bonds (distance) C4'-P energy: -26.747
bonds (distance) P-C4' energy: -32.170
flat angles C4'-P-C4' energy: -35.477
flat angles P-C4'-P energy: -22.952
tors. eta vs tors. theta energy: -47.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -411.323979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.323979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.323979 (E_RNA)
where:
Base-Base interactions energy: -253.155
where: short stacking energy: -118.247
Base-Backbone interact. energy: -0.271
local terms energy: -157.898223
where:
bonds (distance) C4'-P energy: -35.126
bonds (distance) P-C4' energy: -38.391
flat angles C4'-P-C4' energy: -33.069
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -40.114
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: 203
Temperature: 1.100000
Total energy: -420.551742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.551742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.551742 (E_RNA)
where:
Base-Base interactions energy: -291.802
where: short stacking energy: -118.866
Base-Backbone interact. energy: -0.750
local terms energy: -128.000343
where:
bonds (distance) C4'-P energy: -28.960
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -27.135
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -35.203
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: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -390.930503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.930503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.930503 (E_RNA)
where:
Base-Base interactions energy: -246.883
where: short stacking energy: -134.385
Base-Backbone interact. energy: 1.286
local terms energy: -145.333068
where:
bonds (distance) C4'-P energy: -22.717
bonds (distance) P-C4' energy: -25.581
flat angles C4'-P-C4' energy: -33.594
flat angles P-C4'-P energy: -28.785
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: 7, replica: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -188.800715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.800715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.800715 (E_RNA)
where:
Base-Base interactions energy: -73.780
where: short stacking energy: -68.351
Base-Backbone interact. energy: -1.114
local terms energy: -113.907576
where:
bonds (distance) C4'-P energy: -31.895
bonds (distance) P-C4' energy: -25.986
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: -6.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -170.961715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.961715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.961715 (E_RNA)
where:
Base-Base interactions energy: -62.358
where: short stacking energy: -54.724
Base-Backbone interact. energy: -0.388
local terms energy: -108.215821
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -30.863
flat angles C4'-P-C4' energy: -26.919
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -162.207396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.207396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.207396 (E_RNA)
where:
Base-Base interactions energy: -68.939
where: short stacking energy: -49.260
Base-Backbone interact. energy: -0.590
local terms energy: -92.678800
where:
bonds (distance) C4'-P energy: -31.449
bonds (distance) P-C4' energy: -32.259
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: 6.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -156.218891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.218891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.218891 (E_RNA)
where:
Base-Base interactions energy: -64.612
where: short stacking energy: -52.330
Base-Backbone interact. energy: -0.545
local terms energy: -91.062256
where:
bonds (distance) C4'-P energy: -28.771
bonds (distance) P-C4' energy: -29.697
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: 0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -552.005623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.005623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.005623 (E_RNA)
where:
Base-Base interactions energy: -354.263
where: short stacking energy: -174.653
Base-Backbone interact. energy: -1.675
local terms energy: -196.067546
where:
bonds (distance) C4'-P energy: -30.570
bonds (distance) P-C4' energy: -40.634
flat angles C4'-P-C4' energy: -40.389
flat angles P-C4'-P energy: -28.261
tors. eta vs tors. theta energy: -56.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -495.549029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.549029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.549029 (E_RNA)
where:
Base-Base interactions energy: -321.564
where: short stacking energy: -149.352
Base-Backbone interact. energy: -0.447
local terms energy: -173.537943
where:
bonds (distance) C4'-P energy: -33.745
bonds (distance) P-C4' energy: -39.285
flat angles C4'-P-C4' energy: -35.757
flat angles P-C4'-P energy: -25.370
tors. eta vs tors. theta energy: -39.381
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: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -499.445481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.445481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.445481 (E_RNA)
where:
Base-Base interactions energy: -313.561
where: short stacking energy: -159.915
Base-Backbone interact. energy: -1.012
local terms energy: -184.873419
where:
bonds (distance) C4'-P energy: -39.029
bonds (distance) P-C4' energy: -34.835
flat angles C4'-P-C4' energy: -36.173
flat angles P-C4'-P energy: -23.653
tors. eta vs tors. theta energy: -51.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -405.264587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.264587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.264587 (E_RNA)
where:
Base-Base interactions energy: -258.530
where: short stacking energy: -120.282
Base-Backbone interact. energy: 0.139
local terms energy: -146.873166
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -35.188
flat angles C4'-P-C4' energy: -42.272
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -28.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -386.519618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.519618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.519618 (E_RNA)
where:
Base-Base interactions energy: -245.221
where: short stacking energy: -110.359
Base-Backbone interact. energy: -0.299
local terms energy: -141.000224
where:
bonds (distance) C4'-P energy: -22.986
bonds (distance) P-C4' energy: -29.883
flat angles C4'-P-C4' energy: -33.186
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -32.357
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: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -410.887159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.887159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.887159 (E_RNA)
where:
Base-Base interactions energy: -259.823
where: short stacking energy: -110.294
Base-Backbone interact. energy: -1.901
local terms energy: -149.162936
where:
bonds (distance) C4'-P energy: -34.128
bonds (distance) P-C4' energy: -32.837
flat angles C4'-P-C4' energy: -26.875
flat angles P-C4'-P energy: -24.330
tors. eta vs tors. theta energy: -30.993
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: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -184.464595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.464595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.464595 (E_RNA)
where:
Base-Base interactions energy: -59.390
where: short stacking energy: -40.965
Base-Backbone interact. energy: -0.353
local terms energy: -124.721776
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -36.140
flat angles C4'-P-C4' energy: -32.661
flat angles P-C4'-P energy: -21.689
tors. eta vs tors. theta energy: -9.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -174.682135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.682135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.682135 (E_RNA)
where:
Base-Base interactions energy: -60.019
where: short stacking energy: -45.156
Base-Backbone interact. energy: -0.850
local terms energy: -113.812514
where:
bonds (distance) C4'-P energy: -30.630
bonds (distance) P-C4' energy: -32.369
flat angles C4'-P-C4' energy: -29.515
flat angles P-C4'-P energy: -20.875
tors. eta vs tors. theta energy: -0.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -165.975849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.975849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.975849 (E_RNA)
where:
Base-Base interactions energy: -56.938
where: short stacking energy: -47.123
Base-Backbone interact. energy: -0.442
local terms energy: -108.595730
where:
bonds (distance) C4'-P energy: -32.137
bonds (distance) P-C4' energy: -30.620
flat angles C4'-P-C4' energy: -30.139
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: 3.005
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: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -172.895976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.895976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.895976 (E_RNA)
where:
Base-Base interactions energy: -57.227
where: short stacking energy: -36.387
Base-Backbone interact. energy: 0.387
local terms energy: -116.055830
where:
bonds (distance) C4'-P energy: -36.492
bonds (distance) P-C4' energy: -32.479
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -19.865
tors. eta vs tors. theta energy: -1.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -555.709834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.709834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.709834 (E_RNA)
where:
Base-Base interactions energy: -362.526
where: short stacking energy: -172.735
Base-Backbone interact. energy: -0.398
local terms energy: -192.785659
where:
bonds (distance) C4'-P energy: -33.415
bonds (distance) P-C4' energy: -31.000
flat angles C4'-P-C4' energy: -37.654
flat angles P-C4'-P energy: -31.475
tors. eta vs tors. theta energy: -59.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -503.497487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.497487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.497487 (E_RNA)
where:
Base-Base interactions energy: -331.491
where: short stacking energy: -155.645
Base-Backbone interact. energy: 1.857
local terms energy: -173.863130
where:
bonds (distance) C4'-P energy: -35.027
bonds (distance) P-C4' energy: -38.612
flat angles C4'-P-C4' energy: -27.970
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -51.073
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: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -495.725446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.725446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.725446 (E_RNA)
where:
Base-Base interactions energy: -332.046
where: short stacking energy: -144.290
Base-Backbone interact. energy: -0.930
local terms energy: -162.748634
where:
bonds (distance) C4'-P energy: -32.674
bonds (distance) P-C4' energy: -33.540
flat angles C4'-P-C4' energy: -31.580
flat angles P-C4'-P energy: -24.220
tors. eta vs tors. theta energy: -40.734
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: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -423.961067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.961067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.961067 (E_RNA)
where:
Base-Base interactions energy: -270.490
where: short stacking energy: -113.718
Base-Backbone interact. energy: -0.037
local terms energy: -153.433969
where:
bonds (distance) C4'-P energy: -29.559
bonds (distance) P-C4' energy: -38.613
flat angles C4'-P-C4' energy: -32.299
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -34.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -410.465611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.465611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.465611 (E_RNA)
where:
Base-Base interactions energy: -255.351
where: short stacking energy: -124.989
Base-Backbone interact. energy: 0.889
local terms energy: -156.004296
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -38.090
flat angles P-C4'-P energy: -25.919
tors. eta vs tors. theta energy: -40.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -402.455994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.455994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.455994 (E_RNA)
where:
Base-Base interactions energy: -263.415
where: short stacking energy: -106.701
Base-Backbone interact. energy: 0.016
local terms energy: -139.056548
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -31.237
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -20.917
tors. eta vs tors. theta energy: -29.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -173.174253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.174253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.174253 (E_RNA)
where:
Base-Base interactions energy: -58.387
where: short stacking energy: -39.773
Base-Backbone interact. energy: -0.467
local terms energy: -114.320047
where:
bonds (distance) C4'-P energy: -34.869
bonds (distance) P-C4' energy: -30.579
flat angles C4'-P-C4' energy: -28.676
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -181.124871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.124871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.124871 (E_RNA)
where:
Base-Base interactions energy: -74.408
where: short stacking energy: -59.102
Base-Backbone interact. energy: -0.862
local terms energy: -105.854258
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -30.480
flat angles C4'-P-C4' energy: -29.973
flat angles P-C4'-P energy: -19.698
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -151.965314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.965314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.965314 (E_RNA)
where:
Base-Base interactions energy: -43.211
where: short stacking energy: -32.571
Base-Backbone interact. energy: -0.979
local terms energy: -107.775068
where:
bonds (distance) C4'-P energy: -37.387
bonds (distance) P-C4' energy: -30.771
flat angles C4'-P-C4' energy: -28.476
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: 0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -143.690702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.690702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.690702 (E_RNA)
where:
Base-Base interactions energy: -51.774
where: short stacking energy: -46.321
Base-Backbone interact. energy: -1.139
local terms energy: -90.778113
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -31.997
flat angles C4'-P-C4' energy: -23.196
flat angles P-C4'-P energy: -26.572
tors. eta vs tors. theta energy: 5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -541.538369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.538369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.538369 (E_RNA)
where:
Base-Base interactions energy: -337.059
where: short stacking energy: -158.759
Base-Backbone interact. energy: -0.318
local terms energy: -204.161883
where:
bonds (distance) C4'-P energy: -38.710
bonds (distance) P-C4' energy: -37.285
flat angles C4'-P-C4' energy: -41.011
flat angles P-C4'-P energy: -27.072
tors. eta vs tors. theta energy: -60.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -510.174679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.174679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.174679 (E_RNA)
where:
Base-Base interactions energy: -334.575
where: short stacking energy: -153.951
Base-Backbone interact. energy: 0.991
local terms energy: -176.590606
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -35.972
flat angles C4'-P-C4' energy: -38.734
flat angles P-C4'-P energy: -22.921
tors. eta vs tors. theta energy: -50.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -498.565446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.565446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.565446 (E_RNA)
where:
Base-Base interactions energy: -331.426
where: short stacking energy: -132.909
Base-Backbone interact. energy: -0.175
local terms energy: -166.964344
where:
bonds (distance) C4'-P energy: -35.874
bonds (distance) P-C4' energy: -31.419
flat angles C4'-P-C4' energy: -34.956
flat angles P-C4'-P energy: -23.593
tors. eta vs tors. theta energy: -41.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -406.303887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.303887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.303887 (E_RNA)
where:
Base-Base interactions energy: -258.593
where: short stacking energy: -96.706
Base-Backbone interact. energy: -0.970
local terms energy: -146.741022
where:
bonds (distance) C4'-P energy: -32.632
bonds (distance) P-C4' energy: -32.853
flat angles C4'-P-C4' energy: -35.558
flat angles P-C4'-P energy: -21.559
tors. eta vs tors. theta energy: -24.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -392.286793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.286793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.286793 (E_RNA)
where:
Base-Base interactions energy: -254.292
where: short stacking energy: -94.638
Base-Backbone interact. energy: -0.740
local terms energy: -137.254413
where:
bonds (distance) C4'-P energy: -35.424
bonds (distance) P-C4' energy: -37.306
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -21.452
tors. eta vs tors. theta energy: -22.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -432.585549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.585549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.585549 (E_RNA)
where:
Base-Base interactions energy: -278.426
where: short stacking energy: -131.829
Base-Backbone interact. energy: -0.045
local terms energy: -154.114356
where:
bonds (distance) C4'-P energy: -33.833
bonds (distance) P-C4' energy: -27.850
flat angles C4'-P-C4' energy: -32.288
flat angles P-C4'-P energy: -18.270
tors. eta vs tors. theta energy: -41.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -180.395583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.395583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.395583 (E_RNA)
where:
Base-Base interactions energy: -69.002
where: short stacking energy: -47.897
Base-Backbone interact. energy: -1.120
local terms energy: -110.273194
where:
bonds (distance) C4'-P energy: -35.382
bonds (distance) P-C4' energy: -29.948
flat angles C4'-P-C4' energy: -26.661
flat angles P-C4'-P energy: -19.683
tors. eta vs tors. theta energy: 1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -185.961683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.961683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.961683 (E_RNA)
where:
Base-Base interactions energy: -57.438
where: short stacking energy: -43.002
Base-Backbone interact. energy: -1.604
local terms energy: -126.919279
where:
bonds (distance) C4'-P energy: -40.061
bonds (distance) P-C4' energy: -35.994
flat angles C4'-P-C4' energy: -23.716
flat angles P-C4'-P energy: -19.379
tors. eta vs tors. theta energy: -7.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -163.224766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.224766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.224766 (E_RNA)
where:
Base-Base interactions energy: -56.760
where: short stacking energy: -38.442
Base-Backbone interact. energy: -1.222
local terms energy: -105.242455
where:
bonds (distance) C4'-P energy: -34.459
bonds (distance) P-C4' energy: -37.343
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -20.174
tors. eta vs tors. theta energy: 6.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -146.175627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.175627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.175627 (E_RNA)
where:
Base-Base interactions energy: -43.319
where: short stacking energy: -35.985
Base-Backbone interact. energy: -0.570
local terms energy: -102.286703
where:
bonds (distance) C4'-P energy: -29.808
bonds (distance) P-C4' energy: -37.901
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: 10.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -539.550066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.550066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.550066 (E_RNA)
where:
Base-Base interactions energy: -346.086
where: short stacking energy: -166.400
Base-Backbone interact. energy: -0.938
local terms energy: -192.525733
where:
bonds (distance) C4'-P energy: -32.488
bonds (distance) P-C4' energy: -36.839
flat angles C4'-P-C4' energy: -40.611
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: -56.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -540.093053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.093053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.093053 (E_RNA)
where:
Base-Base interactions energy: -357.773
where: short stacking energy: -159.060
Base-Backbone interact. energy: 1.656
local terms energy: -183.975742
where:
bonds (distance) C4'-P energy: -36.314
bonds (distance) P-C4' energy: -35.228
flat angles C4'-P-C4' energy: -36.006
flat angles P-C4'-P energy: -32.089
tors. eta vs tors. theta energy: -44.338
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: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -479.337472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.337472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.337472 (E_RNA)
where:
Base-Base interactions energy: -309.887
where: short stacking energy: -144.326
Base-Backbone interact. energy: 0.486
local terms energy: -169.936136
where:
bonds (distance) C4'-P energy: -37.964
bonds (distance) P-C4' energy: -33.049
flat angles C4'-P-C4' energy: -36.866
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -44.762
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: 207
Temperature: 1.050000
Total energy: -420.343178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.343178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.343178 (E_RNA)
where:
Base-Base interactions energy: -269.830
where: short stacking energy: -107.637
Base-Backbone interact. energy: -0.551
local terms energy: -149.962357
where:
bonds (distance) C4'-P energy: -27.778
bonds (distance) P-C4' energy: -39.022
flat angles C4'-P-C4' energy: -30.436
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -31.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -379.942635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.942635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.942635 (E_RNA)
where:
Base-Base interactions energy: -234.232
where: short stacking energy: -89.411
Base-Backbone interact. energy: -0.649
local terms energy: -145.061464
where:
bonds (distance) C4'-P energy: -33.651
bonds (distance) P-C4' energy: -31.482
flat angles C4'-P-C4' energy: -30.991
flat angles P-C4'-P energy: -25.529
tors. eta vs tors. theta energy: -23.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -414.911040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.911040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.911040 (E_RNA)
where:
Base-Base interactions energy: -270.208
where: short stacking energy: -116.285
Base-Backbone interact. energy: -0.777
local terms energy: -143.925943
where:
bonds (distance) C4'-P energy: -30.549
bonds (distance) P-C4' energy: -35.014
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -18.657
tors. eta vs tors. theta energy: -35.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -176.779519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.779519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.779519 (E_RNA)
where:
Base-Base interactions energy: -86.782
where: short stacking energy: -45.476
Base-Backbone interact. energy: -0.451
local terms energy: -89.546830
where:
bonds (distance) C4'-P energy: -28.834
bonds (distance) P-C4' energy: -32.680
flat angles C4'-P-C4' energy: -20.141
flat angles P-C4'-P energy: -3.879
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: 8, replica: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -170.006871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.006871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.006871 (E_RNA)
where:
Base-Base interactions energy: -63.465
where: short stacking energy: -48.351
Base-Backbone interact. energy: -1.165
local terms energy: -105.376530
where:
bonds (distance) C4'-P energy: -31.395
bonds (distance) P-C4' energy: -30.850
flat angles C4'-P-C4' energy: -28.698
flat angles P-C4'-P energy: -18.466
tors. eta vs tors. theta energy: 4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -153.946036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.946036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.946036 (E_RNA)
where:
Base-Base interactions energy: -51.051
where: short stacking energy: -42.626
Base-Backbone interact. energy: -1.115
local terms energy: -101.779973
where:
bonds (distance) C4'-P energy: -29.198
bonds (distance) P-C4' energy: -25.941
flat angles C4'-P-C4' energy: -28.580
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -141.054800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.054800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.054800 (E_RNA)
where:
Base-Base interactions energy: -46.605
where: short stacking energy: -38.516
Base-Backbone interact. energy: 0.310
local terms energy: -94.759479
where:
bonds (distance) C4'-P energy: -29.534
bonds (distance) P-C4' energy: -33.263
flat angles C4'-P-C4' energy: -25.913
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: 5.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -548.642995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.642995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.642995 (E_RNA)
where:
Base-Base interactions energy: -348.205
where: short stacking energy: -173.429
Base-Backbone interact. energy: -0.637
local terms energy: -199.801012
where:
bonds (distance) C4'-P energy: -35.151
bonds (distance) P-C4' energy: -38.796
flat angles C4'-P-C4' energy: -42.420
flat angles P-C4'-P energy: -30.935
tors. eta vs tors. theta energy: -52.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -541.747849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.747849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.747849 (E_RNA)
where:
Base-Base interactions energy: -371.663
where: short stacking energy: -162.763
Base-Backbone interact. energy: -0.880
local terms energy: -169.204638
where:
bonds (distance) C4'-P energy: -33.304
bonds (distance) P-C4' energy: -28.110
flat angles C4'-P-C4' energy: -37.459
flat angles P-C4'-P energy: -27.154
tors. eta vs tors. theta energy: -43.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -488.755238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.755238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.755238 (E_RNA)
where:
Base-Base interactions energy: -317.214
where: short stacking energy: -147.022
Base-Backbone interact. energy: 0.208
local terms energy: -171.749357
where:
bonds (distance) C4'-P energy: -36.536
bonds (distance) P-C4' energy: -35.491
flat angles C4'-P-C4' energy: -26.358
flat angles P-C4'-P energy: -25.163
tors. eta vs tors. theta energy: -48.202
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: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -399.288527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.288527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.288527 (E_RNA)
where:
Base-Base interactions energy: -263.647
where: short stacking energy: -102.653
Base-Backbone interact. energy: 0.390
local terms energy: -136.031538
where:
bonds (distance) C4'-P energy: -31.303
bonds (distance) P-C4' energy: -34.063
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -20.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -419.687638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.687638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.687638 (E_RNA)
where:
Base-Base interactions energy: -266.209
where: short stacking energy: -136.336
Base-Backbone interact. energy: -0.061
local terms energy: -153.418412
where:
bonds (distance) C4'-P energy: -34.653
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -33.353
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -43.590
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: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -362.421953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.421953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.421953 (E_RNA)
where:
Base-Base interactions energy: -221.113
where: short stacking energy: -98.256
Base-Backbone interact. energy: -0.278
local terms energy: -141.031467
where:
bonds (distance) C4'-P energy: -27.306
bonds (distance) P-C4' energy: -31.350
flat angles C4'-P-C4' energy: -36.398
flat angles P-C4'-P energy: -20.252
tors. eta vs tors. theta energy: -25.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -200.890321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.890321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.890321 (E_RNA)
where:
Base-Base interactions energy: -82.935
where: short stacking energy: -59.433
Base-Backbone interact. energy: 2.016
local terms energy: -119.971010
where:
bonds (distance) C4'-P energy: -33.486
bonds (distance) P-C4' energy: -36.320
flat angles C4'-P-C4' energy: -28.700
flat angles P-C4'-P energy: -15.520
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: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -182.819464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.819464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.819464 (E_RNA)
where:
Base-Base interactions energy: -74.465
where: short stacking energy: -62.809
Base-Backbone interact. energy: -0.525
local terms energy: -107.829617
where:
bonds (distance) C4'-P energy: -33.077
bonds (distance) P-C4' energy: -28.974
flat angles C4'-P-C4' energy: -22.849
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -154.650753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.650753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.650753 (E_RNA)
where:
Base-Base interactions energy: -62.676
where: short stacking energy: -43.768
Base-Backbone interact. energy: -0.392
local terms energy: -91.583467
where:
bonds (distance) C4'-P energy: -28.156
bonds (distance) P-C4' energy: -27.302
flat angles C4'-P-C4' energy: -25.712
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: 6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -163.195135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.195135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.195135 (E_RNA)
where:
Base-Base interactions energy: -46.957
where: short stacking energy: -44.517
Base-Backbone interact. energy: -0.342
local terms energy: -115.896003
where:
bonds (distance) C4'-P energy: -34.529
bonds (distance) P-C4' energy: -37.365
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -22.898
tors. eta vs tors. theta energy: -11.871
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: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -542.094152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.094152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.094152 (E_RNA)
where:
Base-Base interactions energy: -362.912
where: short stacking energy: -165.746
Base-Backbone interact. energy: -1.381
local terms energy: -177.801824
where:
bonds (distance) C4'-P energy: -37.494
bonds (distance) P-C4' energy: -30.554
flat angles C4'-P-C4' energy: -29.985
flat angles P-C4'-P energy: -24.056
tors. eta vs tors. theta energy: -55.713
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: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -496.053747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.053747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.053747 (E_RNA)
where:
Base-Base interactions energy: -316.571
where: short stacking energy: -147.418
Base-Backbone interact. energy: -0.230
local terms energy: -179.252768
where:
bonds (distance) C4'-P energy: -33.081
bonds (distance) P-C4' energy: -36.221
flat angles C4'-P-C4' energy: -34.082
flat angles P-C4'-P energy: -29.207
tors. eta vs tors. theta energy: -46.661
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: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -505.731563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.731563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.731563 (E_RNA)
where:
Base-Base interactions energy: -338.647
where: short stacking energy: -147.959
Base-Backbone interact. energy: 0.616
local terms energy: -167.700964
where:
bonds (distance) C4'-P energy: -33.336
bonds (distance) P-C4' energy: -34.069
flat angles C4'-P-C4' energy: -33.407
flat angles P-C4'-P energy: -24.279
tors. eta vs tors. theta energy: -42.611
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: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -431.625877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.625877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.625877 (E_RNA)
where:
Base-Base interactions energy: -269.819
where: short stacking energy: -143.842
Base-Backbone interact. energy: -0.223
local terms energy: -161.583941
where:
bonds (distance) C4'-P energy: -29.125
bonds (distance) P-C4' energy: -30.563
flat angles C4'-P-C4' energy: -36.762
flat angles P-C4'-P energy: -25.037
tors. eta vs tors. theta energy: -40.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -380.328289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.328289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.328289 (E_RNA)
where:
Base-Base interactions energy: -243.793
where: short stacking energy: -100.347
Base-Backbone interact. energy: -1.248
local terms energy: -135.286985
where:
bonds (distance) C4'-P energy: -29.452
bonds (distance) P-C4' energy: -24.866
flat angles C4'-P-C4' energy: -32.532
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: -24.241
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: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -360.358158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.358158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.358158 (E_RNA)
where:
Base-Base interactions energy: -226.862
where: short stacking energy: -98.079
Base-Backbone interact. energy: 0.593
local terms energy: -134.089045
where:
bonds (distance) C4'-P energy: -29.499
bonds (distance) P-C4' energy: -37.371
flat angles C4'-P-C4' energy: -26.342
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -24.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -196.473447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.473447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.473447 (E_RNA)
where:
Base-Base interactions energy: -92.582
where: short stacking energy: -63.733
Base-Backbone interact. energy: -0.199
local terms energy: -103.692763
where:
bonds (distance) C4'-P energy: -33.246
bonds (distance) P-C4' energy: -23.939
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -164.093455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.093455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.093455 (E_RNA)
where:
Base-Base interactions energy: -59.956
where: short stacking energy: -60.056
Base-Backbone interact. energy: -0.834
local terms energy: -103.303746
where:
bonds (distance) C4'-P energy: -32.202
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -159.489115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.489115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.489115 (E_RNA)
where:
Base-Base interactions energy: -53.736
where: short stacking energy: -37.369
Base-Backbone interact. energy: 1.735
local terms energy: -107.487906
where:
bonds (distance) C4'-P energy: -31.347
bonds (distance) P-C4' energy: -30.441
flat angles C4'-P-C4' energy: -28.567
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -163.731144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.731144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.731144 (E_RNA)
where:
Base-Base interactions energy: -56.127
where: short stacking energy: -52.840
Base-Backbone interact. energy: 0.756
local terms energy: -108.360339
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -31.107
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -554.619292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.619292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.619292 (E_RNA)
where:
Base-Base interactions energy: -353.488
where: short stacking energy: -159.530
Base-Backbone interact. energy: -0.352
local terms energy: -200.779985
where:
bonds (distance) C4'-P energy: -38.309
bonds (distance) P-C4' energy: -37.892
flat angles C4'-P-C4' energy: -42.382
flat angles P-C4'-P energy: -29.050
tors. eta vs tors. theta energy: -53.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -495.726687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.726687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.726687 (E_RNA)
where:
Base-Base interactions energy: -331.544
where: short stacking energy: -137.287
Base-Backbone interact. energy: -0.897
local terms energy: -163.285493
where:
bonds (distance) C4'-P energy: -33.464
bonds (distance) P-C4' energy: -28.848
flat angles C4'-P-C4' energy: -30.497
flat angles P-C4'-P energy: -26.972
tors. eta vs tors. theta energy: -43.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -500.061042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.061042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.061042 (E_RNA)
where:
Base-Base interactions energy: -338.332
where: short stacking energy: -143.855
Base-Backbone interact. energy: -0.225
local terms energy: -161.503586
where:
bonds (distance) C4'-P energy: -29.579
bonds (distance) P-C4' energy: -33.312
flat angles C4'-P-C4' energy: -32.250
flat angles P-C4'-P energy: -25.859
tors. eta vs tors. theta energy: -40.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -427.762743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.762743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.762743 (E_RNA)
where:
Base-Base interactions energy: -261.721
where: short stacking energy: -144.046
Base-Backbone interact. energy: -0.203
local terms energy: -165.839217
where:
bonds (distance) C4'-P energy: -36.835
bonds (distance) P-C4' energy: -32.235
flat angles C4'-P-C4' energy: -34.021
flat angles P-C4'-P energy: -19.958
tors. eta vs tors. theta energy: -42.792
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: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -349.508356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.508356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.508356 (E_RNA)
where:
Base-Base interactions energy: -218.833
where: short stacking energy: -88.764
Base-Backbone interact. energy: 3.087
local terms energy: -133.762793
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -36.613
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -20.333
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -363.291932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.291932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.291932 (E_RNA)
where:
Base-Base interactions energy: -239.278
where: short stacking energy: -72.927
Base-Backbone interact. energy: -0.802
local terms energy: -123.212434
where:
bonds (distance) C4'-P energy: -29.959
bonds (distance) P-C4' energy: -29.395
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: -18.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -188.652381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.652381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.652381 (E_RNA)
where:
Base-Base interactions energy: -78.755
where: short stacking energy: -47.557
Base-Backbone interact. energy: 0.553
local terms energy: -110.450310
where:
bonds (distance) C4'-P energy: -25.425
bonds (distance) P-C4' energy: -35.436
flat angles C4'-P-C4' energy: -33.347
flat angles P-C4'-P energy: -15.580
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: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -207.437451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.437451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.437451 (E_RNA)
where:
Base-Base interactions energy: -93.767
where: short stacking energy: -59.735
Base-Backbone interact. energy: -0.586
local terms energy: -113.084700
where:
bonds (distance) C4'-P energy: -33.089
bonds (distance) P-C4' energy: -33.937
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -15.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -149.998874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.998874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.998874 (E_RNA)
where:
Base-Base interactions energy: -54.888
where: short stacking energy: -45.417
Base-Backbone interact. energy: 3.176
local terms energy: -98.286279
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -32.130
flat angles C4'-P-C4' energy: -31.559
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -5.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -141.858818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.858818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.858818 (E_RNA)
where:
Base-Base interactions energy: -42.856
where: short stacking energy: -41.230
Base-Backbone interact. energy: 1.017
local terms energy: -100.019541
where:
bonds (distance) C4'-P energy: -28.182
bonds (distance) P-C4' energy: -36.420
flat angles C4'-P-C4' energy: -29.685
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: 0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -538.891292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.891292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.891292 (E_RNA)
where:
Base-Base interactions energy: -350.991
where: short stacking energy: -172.322
Base-Backbone interact. energy: 1.402
local terms energy: -189.302266
where:
bonds (distance) C4'-P energy: -28.119
bonds (distance) P-C4' energy: -41.115
flat angles C4'-P-C4' energy: -35.704
flat angles P-C4'-P energy: -26.982
tors. eta vs tors. theta energy: -57.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -515.944803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.944803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.944803 (E_RNA)
where:
Base-Base interactions energy: -345.120
where: short stacking energy: -143.115
Base-Backbone interact. energy: -0.983
local terms energy: -169.842274
where:
bonds (distance) C4'-P energy: -28.110
bonds (distance) P-C4' energy: -34.812
flat angles C4'-P-C4' energy: -39.953
flat angles P-C4'-P energy: -24.376
tors. eta vs tors. theta energy: -42.591
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: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -475.263142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.263142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.263142 (E_RNA)
where:
Base-Base interactions energy: -306.811
where: short stacking energy: -118.517
Base-Backbone interact. energy: -0.875
local terms energy: -167.576973
where:
bonds (distance) C4'-P energy: -35.011
bonds (distance) P-C4' energy: -29.567
flat angles C4'-P-C4' energy: -36.707
flat angles P-C4'-P energy: -27.077
tors. eta vs tors. theta energy: -39.215
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: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -414.520915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.520915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.520915 (E_RNA)
where:
Base-Base interactions energy: -254.244
where: short stacking energy: -128.679
Base-Backbone interact. energy: -0.319
local terms energy: -159.957866
where:
bonds (distance) C4'-P energy: -33.798
bonds (distance) P-C4' energy: -30.649
flat angles C4'-P-C4' energy: -31.037
flat angles P-C4'-P energy: -26.934
tors. eta vs tors. theta energy: -37.539
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: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -361.755733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.755733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.755733 (E_RNA)
where:
Base-Base interactions energy: -218.404
where: short stacking energy: -87.259
Base-Backbone interact. energy: 0.309
local terms energy: -143.660366
where:
bonds (distance) C4'-P energy: -32.973
bonds (distance) P-C4' energy: -35.715
flat angles C4'-P-C4' energy: -28.193
flat angles P-C4'-P energy: -26.378
tors. eta vs tors. theta energy: -20.401
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: 211
Temperature: 1.150000
Total energy: -329.891290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.891290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.891290 (E_RNA)
where:
Base-Base interactions energy: -203.254
where: short stacking energy: -85.850
Base-Backbone interact. energy: 1.613
local terms energy: -128.250183
where:
bonds (distance) C4'-P energy: -31.656
bonds (distance) P-C4' energy: -32.296
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -192.516789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.516789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.516789 (E_RNA)
where:
Base-Base interactions energy: -61.880
where: short stacking energy: -55.861
Base-Backbone interact. energy: -0.537
local terms energy: -130.099919
where:
bonds (distance) C4'-P energy: -35.051
bonds (distance) P-C4' energy: -36.459
flat angles C4'-P-C4' energy: -24.052
flat angles P-C4'-P energy: -24.952
tors. eta vs tors. theta energy: -9.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -179.338858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.338858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.338858 (E_RNA)
where:
Base-Base interactions energy: -75.415
where: short stacking energy: -47.240
Base-Backbone interact. energy: -0.360
local terms energy: -103.563603
where:
bonds (distance) C4'-P energy: -29.944
bonds (distance) P-C4' energy: -34.237
flat angles C4'-P-C4' energy: -32.998
flat angles P-C4'-P energy: -1.664
tors. eta vs tors. theta energy: -4.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -154.772574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.772574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.772574 (E_RNA)
where:
Base-Base interactions energy: -61.040
where: short stacking energy: -30.387
Base-Backbone interact. energy: 1.726
local terms energy: -95.458668
where:
bonds (distance) C4'-P energy: -32.954
bonds (distance) P-C4' energy: -30.280
flat angles C4'-P-C4' energy: -26.472
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: 7.588
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: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -148.264094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.264094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.264094 (E_RNA)
where:
Base-Base interactions energy: -43.924
where: short stacking energy: -24.396
Base-Backbone interact. energy: -1.449
local terms energy: -102.891262
where:
bonds (distance) C4'-P energy: -26.522
bonds (distance) P-C4' energy: -33.687
flat angles C4'-P-C4' energy: -32.164
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: 5.419
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: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -551.530983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.530983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.530983 (E_RNA)
where:
Base-Base interactions energy: -355.074
where: short stacking energy: -181.764
Base-Backbone interact. energy: -0.258
local terms energy: -196.199153
where:
bonds (distance) C4'-P energy: -34.001
bonds (distance) P-C4' energy: -35.453
flat angles C4'-P-C4' energy: -40.719
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: -62.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -531.387934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.387934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.387934 (E_RNA)
where:
Base-Base interactions energy: -367.375
where: short stacking energy: -155.738
Base-Backbone interact. energy: -0.629
local terms energy: -163.383978
where:
bonds (distance) C4'-P energy: -33.021
bonds (distance) P-C4' energy: -28.100
flat angles C4'-P-C4' energy: -36.564
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: -41.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -478.048306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.048306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.048306 (E_RNA)
where:
Base-Base interactions energy: -303.930
where: short stacking energy: -129.329
Base-Backbone interact. energy: -1.000
local terms energy: -173.118583
where:
bonds (distance) C4'-P energy: -29.592
bonds (distance) P-C4' energy: -34.766
flat angles C4'-P-C4' energy: -40.163
flat angles P-C4'-P energy: -25.519
tors. eta vs tors. theta energy: -43.078
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: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -389.108756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.108756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.108756 (E_RNA)
where:
Base-Base interactions energy: -219.145
where: short stacking energy: -115.719
Base-Backbone interact. energy: 1.106
local terms energy: -171.069737
where:
bonds (distance) C4'-P energy: -36.271
bonds (distance) P-C4' energy: -35.242
flat angles C4'-P-C4' energy: -38.293
flat angles P-C4'-P energy: -29.584
tors. eta vs tors. theta energy: -31.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -369.639052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.639052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.639052 (E_RNA)
where:
Base-Base interactions energy: -231.496
where: short stacking energy: -98.534
Base-Backbone interact. energy: -0.356
local terms energy: -137.787088
where:
bonds (distance) C4'-P energy: -31.972
bonds (distance) P-C4' energy: -31.246
flat angles C4'-P-C4' energy: -31.486
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: -25.334
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: 6, replica: 2
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -335.178772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.178772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.178772 (E_RNA)
where:
Base-Base interactions energy: -217.295
where: short stacking energy: -111.743
Base-Backbone interact. energy: -0.224
local terms energy: -117.659821
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -31.520
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -22.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -164.252357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.252357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.252357 (E_RNA)
where:
Base-Base interactions energy: -57.480
where: short stacking energy: -51.038
Base-Backbone interact. energy: -1.422
local terms energy: -105.350418
where:
bonds (distance) C4'-P energy: -31.599
bonds (distance) P-C4' energy: -30.308
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: 0.314
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: 8, replica: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -164.156697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.156697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.156697 (E_RNA)
where:
Base-Base interactions energy: -55.556
where: short stacking energy: -35.471
Base-Backbone interact. energy: 0.517
local terms energy: -109.118389
where:
bonds (distance) C4'-P energy: -33.977
bonds (distance) P-C4' energy: -33.411
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: 5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -169.299493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.299493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.299493 (E_RNA)
where:
Base-Base interactions energy: -60.200
where: short stacking energy: -47.988
Base-Backbone interact. energy: 3.260
local terms energy: -112.359590
where:
bonds (distance) C4'-P energy: -29.346
bonds (distance) P-C4' energy: -40.155
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: 0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -139.113474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.113474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.113474 (E_RNA)
where:
Base-Base interactions energy: -45.222
where: short stacking energy: -36.110
Base-Backbone interact. energy: -1.791
local terms energy: -92.100382
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -23.467
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: 1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -519.689725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.689725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.689725 (E_RNA)
where:
Base-Base interactions energy: -325.654
where: short stacking energy: -172.221
Base-Backbone interact. energy: -0.421
local terms energy: -193.615112
where:
bonds (distance) C4'-P energy: -33.445
bonds (distance) P-C4' energy: -34.450
flat angles C4'-P-C4' energy: -40.691
flat angles P-C4'-P energy: -27.943
tors. eta vs tors. theta energy: -57.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -522.936496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.936496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.936496 (E_RNA)
where:
Base-Base interactions energy: -351.947
where: short stacking energy: -151.898
Base-Backbone interact. energy: -0.734
local terms energy: -170.254669
where:
bonds (distance) C4'-P energy: -31.344
bonds (distance) P-C4' energy: -34.677
flat angles C4'-P-C4' energy: -39.156
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -48.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -479.447990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.447990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.447990 (E_RNA)
where:
Base-Base interactions energy: -304.214
where: short stacking energy: -142.200
Base-Backbone interact. energy: -0.402
local terms energy: -174.832266
where:
bonds (distance) C4'-P energy: -34.168
bonds (distance) P-C4' energy: -34.363
flat angles C4'-P-C4' energy: -38.962
flat angles P-C4'-P energy: -21.350
tors. eta vs tors. theta energy: -45.989
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: 4, replica: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -421.105642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.105642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.105642 (E_RNA)
where:
Base-Base interactions energy: -266.021
where: short stacking energy: -122.068
Base-Backbone interact. energy: -0.449
local terms energy: -154.635382
where:
bonds (distance) C4'-P energy: -38.554
bonds (distance) P-C4' energy: -32.951
flat angles C4'-P-C4' energy: -33.662
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -32.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -394.605960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.605960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.605960 (E_RNA)
where:
Base-Base interactions energy: -242.163
where: short stacking energy: -129.665
Base-Backbone interact. energy: -0.357
local terms energy: -152.085888
where:
bonds (distance) C4'-P energy: -24.611
bonds (distance) P-C4' energy: -29.223
flat angles C4'-P-C4' energy: -32.144
flat angles P-C4'-P energy: -22.270
tors. eta vs tors. theta energy: -43.837
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: 2
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -291.314826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.314826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.314826 (E_RNA)
where:
Base-Base interactions energy: -163.819
where: short stacking energy: -75.910
Base-Backbone interact. energy: -0.418
local terms energy: -127.076995
where:
bonds (distance) C4'-P energy: -31.129
bonds (distance) P-C4' energy: -36.559
flat angles C4'-P-C4' energy: -32.672
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -194.240477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.240477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.240477 (E_RNA)
where:
Base-Base interactions energy: -84.939
where: short stacking energy: -52.611
Base-Backbone interact. energy: 2.087
local terms energy: -111.387814
where:
bonds (distance) C4'-P energy: -35.905
bonds (distance) P-C4' energy: -34.320
flat angles C4'-P-C4' energy: -24.594
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -10.285
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: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -159.364860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.364860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.364860 (E_RNA)
where:
Base-Base interactions energy: -42.356
where: short stacking energy: -41.610
Base-Backbone interact. energy: -0.273
local terms energy: -116.735745
where:
bonds (distance) C4'-P energy: -27.595
bonds (distance) P-C4' energy: -38.403
flat angles C4'-P-C4' energy: -34.115
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -150.655287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.655287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.655287 (E_RNA)
where:
Base-Base interactions energy: -45.736
where: short stacking energy: -37.310
Base-Backbone interact. energy: -0.418
local terms energy: -104.501108
where:
bonds (distance) C4'-P energy: -29.371
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -23.435
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -141.734300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.734300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.734300 (E_RNA)
where:
Base-Base interactions energy: -39.692
where: short stacking energy: -38.320
Base-Backbone interact. energy: 1.519
local terms energy: -103.561687
where:
bonds (distance) C4'-P energy: -30.968
bonds (distance) P-C4' energy: -32.767
flat angles C4'-P-C4' energy: -23.501
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -540.424995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.424995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.424995 (E_RNA)
where:
Base-Base interactions energy: -365.596
where: short stacking energy: -162.989
Base-Backbone interact. energy: -0.418
local terms energy: -174.411005
where:
bonds (distance) C4'-P energy: -35.230
bonds (distance) P-C4' energy: -31.438
flat angles C4'-P-C4' energy: -40.867
flat angles P-C4'-P energy: -22.094
tors. eta vs tors. theta energy: -44.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -510.667635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.667635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.667635 (E_RNA)
where:
Base-Base interactions energy: -322.288
where: short stacking energy: -157.022
Base-Backbone interact. energy: -0.004
local terms energy: -188.375020
where:
bonds (distance) C4'-P energy: -36.683
bonds (distance) P-C4' energy: -35.109
flat angles C4'-P-C4' energy: -40.149
flat angles P-C4'-P energy: -25.571
tors. eta vs tors. theta energy: -50.863
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: 6
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -476.440182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.440182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.440182 (E_RNA)
where:
Base-Base interactions energy: -310.567
where: short stacking energy: -135.462
Base-Backbone interact. energy: 0.518
local terms energy: -166.391914
where:
bonds (distance) C4'-P energy: -33.884
bonds (distance) P-C4' energy: -35.411
flat angles C4'-P-C4' energy: -29.810
flat angles P-C4'-P energy: -25.515
tors. eta vs tors. theta energy: -41.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -371.781350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.781350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.781350 (E_RNA)
where:
Base-Base interactions energy: -230.049
where: short stacking energy: -116.647
Base-Backbone interact. energy: -0.275
local terms energy: -141.458140
where:
bonds (distance) C4'-P energy: -33.127
bonds (distance) P-C4' energy: -29.096
flat angles C4'-P-C4' energy: -28.961
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: -30.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -406.445536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.445536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.445536 (E_RNA)
where:
Base-Base interactions energy: -247.649
where: short stacking energy: -131.970
Base-Backbone interact. energy: -0.153
local terms energy: -158.643111
where:
bonds (distance) C4'-P energy: -22.404
bonds (distance) P-C4' energy: -37.710
flat angles C4'-P-C4' energy: -40.720
flat angles P-C4'-P energy: -22.725
tors. eta vs tors. theta energy: -35.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -250.913340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.913340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.913340 (E_RNA)
where:
Base-Base interactions energy: -131.525
where: short stacking energy: -80.678
Base-Backbone interact. energy: -0.247
local terms energy: -119.141323
where:
bonds (distance) C4'-P energy: -31.276
bonds (distance) P-C4' energy: -27.847
flat angles C4'-P-C4' energy: -33.031
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -168.883549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.883549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.883549 (E_RNA)
where:
Base-Base interactions energy: -49.008
where: short stacking energy: -43.232
Base-Backbone interact. energy: 2.436
local terms energy: -122.311897
where:
bonds (distance) C4'-P energy: -33.892
bonds (distance) P-C4' energy: -37.850
flat angles C4'-P-C4' energy: -28.019
flat angles P-C4'-P energy: -25.510
tors. eta vs tors. theta energy: 2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -185.589214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.589214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.589214 (E_RNA)
where:
Base-Base interactions energy: -63.280
where: short stacking energy: -59.326
Base-Backbone interact. energy: -0.173
local terms energy: -122.136265
where:
bonds (distance) C4'-P energy: -31.548
bonds (distance) P-C4' energy: -32.008
flat angles C4'-P-C4' energy: -29.449
flat angles P-C4'-P energy: -21.665
tors. eta vs tors. theta energy: -7.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -158.676619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.676619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.676619 (E_RNA)
where:
Base-Base interactions energy: -57.175
where: short stacking energy: -49.092
Base-Backbone interact. energy: -0.051
local terms energy: -101.450091
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -30.911
flat angles C4'-P-C4' energy: -30.243
flat angles P-C4'-P energy: -19.412
tors. eta vs tors. theta energy: -0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -142.004646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.004646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.004646 (E_RNA)
where:
Base-Base interactions energy: -42.231
where: short stacking energy: -31.774
Base-Backbone interact. energy: 1.282
local terms energy: -101.055186
where:
bonds (distance) C4'-P energy: -35.627
bonds (distance) P-C4' energy: -32.826
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -18.209
tors. eta vs tors. theta energy: 8.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -526.360411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.360411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.360411 (E_RNA)
where:
Base-Base interactions energy: -351.499
where: short stacking energy: -156.015
Base-Backbone interact. energy: 0.521
local terms energy: -175.382564
where:
bonds (distance) C4'-P energy: -33.520
bonds (distance) P-C4' energy: -37.031
flat angles C4'-P-C4' energy: -36.015
flat angles P-C4'-P energy: -25.414
tors. eta vs tors. theta energy: -43.403
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: 6
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -519.064740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.064740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.064740 (E_RNA)
where:
Base-Base interactions energy: -330.285
where: short stacking energy: -160.789
Base-Backbone interact. energy: -0.829
local terms energy: -187.950605
where:
bonds (distance) C4'-P energy: -31.226
bonds (distance) P-C4' energy: -33.720
flat angles C4'-P-C4' energy: -38.556
flat angles P-C4'-P energy: -29.181
tors. eta vs tors. theta energy: -55.268
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: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -482.139765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.139765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.139765 (E_RNA)
where:
Base-Base interactions energy: -311.264
where: short stacking energy: -154.436
Base-Backbone interact. energy: -0.262
local terms energy: -170.613372
where:
bonds (distance) C4'-P energy: -30.733
bonds (distance) P-C4' energy: -33.423
flat angles C4'-P-C4' energy: -29.531
flat angles P-C4'-P energy: -28.296
tors. eta vs tors. theta energy: -48.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -399.510977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.510977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.510977 (E_RNA)
where:
Base-Base interactions energy: -237.413
where: short stacking energy: -130.032
Base-Backbone interact. energy: -0.303
local terms energy: -161.794925
where:
bonds (distance) C4'-P energy: -40.163
bonds (distance) P-C4' energy: -34.825
flat angles C4'-P-C4' energy: -32.109
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -40.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -372.590025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.590025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.590025 (E_RNA)
where:
Base-Base interactions energy: -220.707
where: short stacking energy: -113.293
Base-Backbone interact. energy: 1.994
local terms energy: -153.876499
where:
bonds (distance) C4'-P energy: -31.909
bonds (distance) P-C4' energy: -32.803
flat angles C4'-P-C4' energy: -35.232
flat angles P-C4'-P energy: -27.187
tors. eta vs tors. theta energy: -26.745
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: 6, replica: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -202.768531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.768531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.768531 (E_RNA)
where:
Base-Base interactions energy: -95.649
where: short stacking energy: -50.752
Base-Backbone interact. energy: -1.768
local terms energy: -105.352420
where:
bonds (distance) C4'-P energy: -29.536
bonds (distance) P-C4' energy: -31.930
flat angles C4'-P-C4' energy: -27.541
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -207.009685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.009685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.009685 (E_RNA)
where:
Base-Base interactions energy: -98.449
where: short stacking energy: -55.720
Base-Backbone interact. energy: 0.458
local terms energy: -109.019614
where:
bonds (distance) C4'-P energy: -36.290
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -10.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -168.654007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.654007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.654007 (E_RNA)
where:
Base-Base interactions energy: -56.908
where: short stacking energy: -33.974
Base-Backbone interact. energy: -1.158
local terms energy: -110.587997
where:
bonds (distance) C4'-P energy: -28.091
bonds (distance) P-C4' energy: -39.480
flat angles C4'-P-C4' energy: -24.183
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -155.921742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.921742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.921742 (E_RNA)
where:
Base-Base interactions energy: -59.591
where: short stacking energy: -35.645
Base-Backbone interact. energy: 0.540
local terms energy: -96.870021
where:
bonds (distance) C4'-P energy: -28.797
bonds (distance) P-C4' energy: -35.768
flat angles C4'-P-C4' energy: -28.660
flat angles P-C4'-P energy: -1.453
tors. eta vs tors. theta energy: -2.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -158.959799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.959799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.959799 (E_RNA)
where:
Base-Base interactions energy: -58.770
where: short stacking energy: -48.345
Base-Backbone interact. energy: -0.722
local terms energy: -99.468364
where:
bonds (distance) C4'-P energy: -31.916
bonds (distance) P-C4' energy: -29.939
flat angles C4'-P-C4' energy: -25.324
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: 0.502
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: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -529.772724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.772724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.772724 (E_RNA)
where:
Base-Base interactions energy: -363.048
where: short stacking energy: -145.988
Base-Backbone interact. energy: -0.677
local terms energy: -166.047269
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -34.342
flat angles C4'-P-C4' energy: -35.855
flat angles P-C4'-P energy: -20.374
tors. eta vs tors. theta energy: -43.840
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: 2, replica: 6
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -515.744297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.744297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.744297 (E_RNA)
where:
Base-Base interactions energy: -333.468
where: short stacking energy: -151.331
Base-Backbone interact. energy: -0.918
local terms energy: -181.358035
where:
bonds (distance) C4'-P energy: -34.547
bonds (distance) P-C4' energy: -35.215
flat angles C4'-P-C4' energy: -39.475
flat angles P-C4'-P energy: -21.166
tors. eta vs tors. theta energy: -50.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -502.420239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.420239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.420239 (E_RNA)
where:
Base-Base interactions energy: -317.391
where: short stacking energy: -140.439
Base-Backbone interact. energy: -0.037
local terms energy: -184.991790
where:
bonds (distance) C4'-P energy: -39.981
bonds (distance) P-C4' energy: -32.394
flat angles C4'-P-C4' energy: -37.552
flat angles P-C4'-P energy: -28.472
tors. eta vs tors. theta energy: -46.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -387.643919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.643919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.643919 (E_RNA)
where:
Base-Base interactions energy: -231.852
where: short stacking energy: -106.801
Base-Backbone interact. energy: -0.646
local terms energy: -155.145725
where:
bonds (distance) C4'-P energy: -25.338
bonds (distance) P-C4' energy: -36.041
flat angles C4'-P-C4' energy: -33.003
flat angles P-C4'-P energy: -25.900
tors. eta vs tors. theta energy: -34.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -363.931504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.931504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.931504 (E_RNA)
where:
Base-Base interactions energy: -216.915
where: short stacking energy: -96.122
Base-Backbone interact. energy: -1.153
local terms energy: -145.862993
where:
bonds (distance) C4'-P energy: -33.018
bonds (distance) P-C4' energy: -33.388
flat angles C4'-P-C4' energy: -31.518
flat angles P-C4'-P energy: -20.045
tors. eta vs tors. theta energy: -27.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -210.562217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.562217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.562217 (E_RNA)
where:
Base-Base interactions energy: -94.325
where: short stacking energy: -59.636
Base-Backbone interact. energy: -0.366
local terms energy: -115.871112
where:
bonds (distance) C4'-P energy: -36.056
bonds (distance) P-C4' energy: -33.122
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -5.777
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: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -190.791855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.791855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.791855 (E_RNA)
where:
Base-Base interactions energy: -89.973
where: short stacking energy: -56.693
Base-Backbone interact. energy: 5.096
local terms energy: -105.914737
where:
bonds (distance) C4'-P energy: -27.711
bonds (distance) P-C4' energy: -21.100
flat angles C4'-P-C4' energy: -30.817
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -181.963631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.963631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.963631 (E_RNA)
where:
Base-Base interactions energy: -72.351
where: short stacking energy: -44.296
Base-Backbone interact. energy: -0.725
local terms energy: -108.887748
where:
bonds (distance) C4'-P energy: -37.935
bonds (distance) P-C4' energy: -32.859
flat angles C4'-P-C4' energy: -32.001
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: 8.056
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: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -153.133669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.133669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.133669 (E_RNA)
where:
Base-Base interactions energy: -51.714
where: short stacking energy: -46.890
Base-Backbone interact. energy: 0.922
local terms energy: -102.341446
where:
bonds (distance) C4'-P energy: -26.616
bonds (distance) P-C4' energy: -39.221
flat angles C4'-P-C4' energy: -22.486
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -159.912761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.912761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.912761 (E_RNA)
where:
Base-Base interactions energy: -52.204
where: short stacking energy: -41.352
Base-Backbone interact. energy: -0.224
local terms energy: -107.484536
where:
bonds (distance) C4'-P energy: -31.264
bonds (distance) P-C4' energy: -36.280
flat angles C4'-P-C4' energy: -31.362
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: 1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -534.275123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.275123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.275123 (E_RNA)
where:
Base-Base interactions energy: -359.899
where: short stacking energy: -152.929
Base-Backbone interact. energy: -0.448
local terms energy: -173.927952
where:
bonds (distance) C4'-P energy: -30.555
bonds (distance) P-C4' energy: -35.339
flat angles C4'-P-C4' energy: -37.691
flat angles P-C4'-P energy: -23.918
tors. eta vs tors. theta energy: -46.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -525.861832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.861832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.861832 (E_RNA)
where:
Base-Base interactions energy: -358.785
where: short stacking energy: -158.449
Base-Backbone interact. energy: -0.333
local terms energy: -166.744152
where:
bonds (distance) C4'-P energy: -35.125
bonds (distance) P-C4' energy: -27.735
flat angles C4'-P-C4' energy: -39.286
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -42.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -500.197893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.197893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.197893 (E_RNA)
where:
Base-Base interactions energy: -321.976
where: short stacking energy: -152.985
Base-Backbone interact. energy: 0.269
local terms energy: -178.490525
where:
bonds (distance) C4'-P energy: -30.478
bonds (distance) P-C4' energy: -38.125
flat angles C4'-P-C4' energy: -35.612
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -53.873
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: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -417.370774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.370774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.370774 (E_RNA)
where:
Base-Base interactions energy: -244.071
where: short stacking energy: -120.866
Base-Backbone interact. energy: -0.336
local terms energy: -172.963703
where:
bonds (distance) C4'-P energy: -34.308
bonds (distance) P-C4' energy: -35.662
flat angles C4'-P-C4' energy: -38.080
flat angles P-C4'-P energy: -27.446
tors. eta vs tors. theta energy: -37.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -354.252044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.252044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.252044 (E_RNA)
where:
Base-Base interactions energy: -207.106
where: short stacking energy: -93.834
Base-Backbone interact. energy: 0.703
local terms energy: -147.849679
where:
bonds (distance) C4'-P energy: -36.077
bonds (distance) P-C4' energy: -34.508
flat angles C4'-P-C4' energy: -29.553
flat angles P-C4'-P energy: -27.280
tors. eta vs tors. theta energy: -20.431
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: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -188.664177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.664177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.664177 (E_RNA)
where:
Base-Base interactions energy: -72.149
where: short stacking energy: -72.149
Base-Backbone interact. energy: -0.229
local terms energy: -116.286058
where:
bonds (distance) C4'-P energy: -30.587
bonds (distance) P-C4' energy: -32.007
flat angles C4'-P-C4' energy: -25.578
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -10.325
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: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -229.775239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.775239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.775239 (E_RNA)
where:
Base-Base interactions energy: -109.175
where: short stacking energy: -74.733
Base-Backbone interact. energy: -0.454
local terms energy: -120.145663
where:
bonds (distance) C4'-P energy: -29.116
bonds (distance) P-C4' energy: -28.623
flat angles C4'-P-C4' energy: -26.285
flat angles P-C4'-P energy: -23.532
tors. eta vs tors. theta energy: -12.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -164.823826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.823826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.823826 (E_RNA)
where:
Base-Base interactions energy: -54.471
where: short stacking energy: -53.494
Base-Backbone interact. energy: 1.383
local terms energy: -111.736133
where:
bonds (distance) C4'-P energy: -33.308
bonds (distance) P-C4' energy: -26.199
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -150.349215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.349215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.349215 (E_RNA)
where:
Base-Base interactions energy: -49.834
where: short stacking energy: -39.696
Base-Backbone interact. energy: -1.386
local terms energy: -99.128921
where:
bonds (distance) C4'-P energy: -24.618
bonds (distance) P-C4' energy: -27.831
flat angles C4'-P-C4' energy: -35.087
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: 0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -134.275581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.275581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.275581 (E_RNA)
where:
Base-Base interactions energy: -57.106
where: short stacking energy: -33.256
Base-Backbone interact. energy: 0.273
local terms energy: -77.442522
where:
bonds (distance) C4'-P energy: -25.093
bonds (distance) P-C4' energy: -29.830
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: 14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -536.845792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.845792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.845792 (E_RNA)
where:
Base-Base interactions energy: -347.462
where: short stacking energy: -146.485
Base-Backbone interact. energy: -0.276
local terms energy: -189.107334
where:
bonds (distance) C4'-P energy: -36.245
bonds (distance) P-C4' energy: -40.774
flat angles C4'-P-C4' energy: -38.544
flat angles P-C4'-P energy: -28.699
tors. eta vs tors. theta energy: -44.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -511.984623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.984623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.984623 (E_RNA)
where:
Base-Base interactions energy: -341.017
where: short stacking energy: -153.274
Base-Backbone interact. energy: -0.986
local terms energy: -169.981699
where:
bonds (distance) C4'-P energy: -34.277
bonds (distance) P-C4' energy: -31.844
flat angles C4'-P-C4' energy: -40.378
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: -46.781
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: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -504.539396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.539396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.539396 (E_RNA)
where:
Base-Base interactions energy: -318.600
where: short stacking energy: -145.764
Base-Backbone interact. energy: -0.810
local terms energy: -185.129085
where:
bonds (distance) C4'-P energy: -30.539
bonds (distance) P-C4' energy: -39.784
flat angles C4'-P-C4' energy: -38.566
flat angles P-C4'-P energy: -24.656
tors. eta vs tors. theta energy: -51.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -453.938070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.938070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.938070 (E_RNA)
where:
Base-Base interactions energy: -287.427
where: short stacking energy: -135.981
Base-Backbone interact. energy: -1.408
local terms energy: -165.102517
where:
bonds (distance) C4'-P energy: -29.933
bonds (distance) P-C4' energy: -35.528
flat angles C4'-P-C4' energy: -37.310
flat angles P-C4'-P energy: -20.522
tors. eta vs tors. theta energy: -41.810
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: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -345.806943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.806943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.806943 (E_RNA)
where:
Base-Base interactions energy: -213.190
where: short stacking energy: -103.615
Base-Backbone interact. energy: 0.679
local terms energy: -133.295833
where:
bonds (distance) C4'-P energy: -24.792
bonds (distance) P-C4' energy: -30.754
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -27.134
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: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -182.715399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.715399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.715399 (E_RNA)
where:
Base-Base interactions energy: -63.517
where: short stacking energy: -45.863
Base-Backbone interact. energy: -0.088
local terms energy: -119.110570
where:
bonds (distance) C4'-P energy: -34.239
bonds (distance) P-C4' energy: -29.491
flat angles C4'-P-C4' energy: -30.001
flat angles P-C4'-P energy: -17.661
tors. eta vs tors. theta energy: -7.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -224.147296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.147296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.147296 (E_RNA)
where:
Base-Base interactions energy: -108.244
where: short stacking energy: -59.789
Base-Backbone interact. energy: 1.374
local terms energy: -117.277434
where:
bonds (distance) C4'-P energy: -34.349
bonds (distance) P-C4' energy: -37.222
flat angles C4'-P-C4' energy: -28.414
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -2.137
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: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -178.640552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.640552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.640552 (E_RNA)
where:
Base-Base interactions energy: -76.633
where: short stacking energy: -43.897
Base-Backbone interact. energy: -0.048
local terms energy: -101.959323
where:
bonds (distance) C4'-P energy: -31.693
bonds (distance) P-C4' energy: -31.804
flat angles C4'-P-C4' energy: -29.645
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: 5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -170.305542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.305542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.305542 (E_RNA)
where:
Base-Base interactions energy: -67.013
where: short stacking energy: -47.905
Base-Backbone interact. energy: -0.451
local terms energy: -102.841115
where:
bonds (distance) C4'-P energy: -32.057
bonds (distance) P-C4' energy: -36.192
flat angles C4'-P-C4' energy: -27.961
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: 2.326
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: 10, replica: 2
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -168.742536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.742536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.742536 (E_RNA)
where:
Base-Base interactions energy: -72.897
where: short stacking energy: -57.636
Base-Backbone interact. energy: -0.074
local terms energy: -95.771969
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -28.564
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: 1.548
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: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -512.643397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.643397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.643397 (E_RNA)
where:
Base-Base interactions energy: -348.412
where: short stacking energy: -135.962
Base-Backbone interact. energy: -0.637
local terms energy: -163.594370
where:
bonds (distance) C4'-P energy: -37.597
bonds (distance) P-C4' energy: -37.129
flat angles C4'-P-C4' energy: -38.085
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -37.641
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: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -525.941421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.941421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.941421 (E_RNA)
where:
Base-Base interactions energy: -333.541
where: short stacking energy: -160.519
Base-Backbone interact. energy: -0.445
local terms energy: -191.955021
where:
bonds (distance) C4'-P energy: -40.139
bonds (distance) P-C4' energy: -37.598
flat angles C4'-P-C4' energy: -36.406
flat angles P-C4'-P energy: -24.397
tors. eta vs tors. theta energy: -53.414
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: 6
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -507.898104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.898104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.898104 (E_RNA)
where:
Base-Base interactions energy: -342.845
where: short stacking energy: -151.164
Base-Backbone interact. energy: 2.486
local terms energy: -167.539039
where:
bonds (distance) C4'-P energy: -32.233
bonds (distance) P-C4' energy: -30.802
flat angles C4'-P-C4' energy: -36.175
flat angles P-C4'-P energy: -23.625
tors. eta vs tors. theta energy: -44.704
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: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -439.021034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.021034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.021034 (E_RNA)
where:
Base-Base interactions energy: -288.627
where: short stacking energy: -139.676
Base-Backbone interact. energy: -0.090
local terms energy: -150.304566
where:
bonds (distance) C4'-P energy: -29.351
bonds (distance) P-C4' energy: -29.188
flat angles C4'-P-C4' energy: -33.847
flat angles P-C4'-P energy: -20.390
tors. eta vs tors. theta energy: -37.529
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: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -353.697597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.697597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.697597 (E_RNA)
where:
Base-Base interactions energy: -211.126
where: short stacking energy: -103.756
Base-Backbone interact. energy: -0.982
local terms energy: -141.589667
where:
bonds (distance) C4'-P energy: -26.535
bonds (distance) P-C4' energy: -31.097
flat angles C4'-P-C4' energy: -31.761
flat angles P-C4'-P energy: -25.080
tors. eta vs tors. theta energy: -27.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -181.332793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.332793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.332793 (E_RNA)
where:
Base-Base interactions energy: -50.361
where: short stacking energy: -50.322
Base-Backbone interact. energy: -0.761
local terms energy: -130.210341
where:
bonds (distance) C4'-P energy: -34.449
bonds (distance) P-C4' energy: -39.664
flat angles C4'-P-C4' energy: -32.238
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -215.962405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.962405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.962405 (E_RNA)
where:
Base-Base interactions energy: -113.073
where: short stacking energy: -61.443
Base-Backbone interact. energy: -0.883
local terms energy: -102.005964
where:
bonds (distance) C4'-P energy: -22.212
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: -8.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -195.039113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.039113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.039113 (E_RNA)
where:
Base-Base interactions energy: -91.939
where: short stacking energy: -39.625
Base-Backbone interact. energy: 0.116
local terms energy: -103.215313
where:
bonds (distance) C4'-P energy: -26.911
bonds (distance) P-C4' energy: -29.761
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -22.849
tors. eta vs tors. theta energy: 1.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -155.221937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.221937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.221937 (E_RNA)
where:
Base-Base interactions energy: -55.137
where: short stacking energy: -50.279
Base-Backbone interact. energy: 0.170
local terms energy: -100.255010
where:
bonds (distance) C4'-P energy: -27.114
bonds (distance) P-C4' energy: -30.641
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -159.658864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.658864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.658864 (E_RNA)
where:
Base-Base interactions energy: -55.107
where: short stacking energy: -42.621
Base-Backbone interact. energy: 1.668
local terms energy: -106.220083
where:
bonds (distance) C4'-P energy: -30.292
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -28.887
flat angles P-C4'-P energy: -24.395
tors. eta vs tors. theta energy: 2.887
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: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -539.995451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.995451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.995451 (E_RNA)
where:
Base-Base interactions energy: -368.295
where: short stacking energy: -154.678
Base-Backbone interact. energy: -0.049
local terms energy: -171.651494
where:
bonds (distance) C4'-P energy: -32.981
bonds (distance) P-C4' energy: -37.977
flat angles C4'-P-C4' energy: -38.455
flat angles P-C4'-P energy: -22.806
tors. eta vs tors. theta energy: -39.432
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: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -522.536192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.536192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.536192 (E_RNA)
where:
Base-Base interactions energy: -342.922
where: short stacking energy: -161.637
Base-Backbone interact. energy: -1.140
local terms energy: -178.473796
where:
bonds (distance) C4'-P energy: -26.855
bonds (distance) P-C4' energy: -36.719
flat angles C4'-P-C4' energy: -37.664
flat angles P-C4'-P energy: -27.265
tors. eta vs tors. theta energy: -49.970
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: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -506.441268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.441268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.441268 (E_RNA)
where:
Base-Base interactions energy: -342.778
where: short stacking energy: -170.296
Base-Backbone interact. energy: -1.102
local terms energy: -162.561362
where:
bonds (distance) C4'-P energy: -29.174
bonds (distance) P-C4' energy: -32.564
flat angles C4'-P-C4' energy: -30.284
flat angles P-C4'-P energy: -22.800
tors. eta vs tors. theta energy: -47.740
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: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -464.806196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.806196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.806196 (E_RNA)
where:
Base-Base interactions energy: -288.558
where: short stacking energy: -137.006
Base-Backbone interact. energy: -0.304
local terms energy: -175.944514
where:
bonds (distance) C4'-P energy: -29.293
bonds (distance) P-C4' energy: -33.170
flat angles C4'-P-C4' energy: -38.619
flat angles P-C4'-P energy: -27.753
tors. eta vs tors. theta energy: -47.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -405.029645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.029645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.029645 (E_RNA)
where:
Base-Base interactions energy: -253.544
where: short stacking energy: -109.765
Base-Backbone interact. energy: -0.345
local terms energy: -151.140348
where:
bonds (distance) C4'-P energy: -31.615
bonds (distance) P-C4' energy: -29.583
flat angles C4'-P-C4' energy: -32.360
flat angles P-C4'-P energy: -25.540
tors. eta vs tors. theta energy: -32.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -193.597528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.597528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.597528 (E_RNA)
where:
Base-Base interactions energy: -81.060
where: short stacking energy: -64.900
Base-Backbone interact. energy: 1.149
local terms energy: -113.686918
where:
bonds (distance) C4'-P energy: -33.880
bonds (distance) P-C4' energy: -29.388
flat angles C4'-P-C4' energy: -30.828
flat angles P-C4'-P energy: -15.710
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: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -175.540379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.540379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.540379 (E_RNA)
where:
Base-Base interactions energy: -80.427
where: short stacking energy: -44.884
Base-Backbone interact. energy: -0.383
local terms energy: -94.731214
where:
bonds (distance) C4'-P energy: -22.229
bonds (distance) P-C4' energy: -36.074
flat angles C4'-P-C4' energy: -26.718
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: 0.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -163.748986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.748986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.748986 (E_RNA)
where:
Base-Base interactions energy: -50.114
where: short stacking energy: -49.013
Base-Backbone interact. energy: -2.120
local terms energy: -111.515077
where:
bonds (distance) C4'-P energy: -29.027
bonds (distance) P-C4' energy: -38.972
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -161.895970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.895970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.895970 (E_RNA)
where:
Base-Base interactions energy: -47.561
where: short stacking energy: -41.916
Base-Backbone interact. energy: -0.613
local terms energy: -113.722137
where:
bonds (distance) C4'-P energy: -36.028
bonds (distance) P-C4' energy: -35.214
flat angles C4'-P-C4' energy: -32.084
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: 2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -145.718953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.718953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.718953 (E_RNA)
where:
Base-Base interactions energy: -55.906
where: short stacking energy: -47.325
Base-Backbone interact. energy: -0.357
local terms energy: -89.455857
where:
bonds (distance) C4'-P energy: -29.374
bonds (distance) P-C4' energy: -27.314
flat angles C4'-P-C4' energy: -26.345
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -538.402963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.402963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.402963 (E_RNA)
where:
Base-Base interactions energy: -358.604
where: short stacking energy: -142.907
Base-Backbone interact. energy: -0.354
local terms energy: -179.445321
where:
bonds (distance) C4'-P energy: -41.635
bonds (distance) P-C4' energy: -35.078
flat angles C4'-P-C4' energy: -35.851
flat angles P-C4'-P energy: -24.053
tors. eta vs tors. theta energy: -42.828
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: 6
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -512.695471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.695471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.695471 (E_RNA)
where:
Base-Base interactions energy: -331.793
where: short stacking energy: -158.632
Base-Backbone interact. energy: -0.171
local terms energy: -180.731020
where:
bonds (distance) C4'-P energy: -33.913
bonds (distance) P-C4' energy: -33.526
flat angles C4'-P-C4' energy: -40.810
flat angles P-C4'-P energy: -21.542
tors. eta vs tors. theta energy: -50.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -518.474378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.474378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.474378 (E_RNA)
where:
Base-Base interactions energy: -328.775
where: short stacking energy: -164.151
Base-Backbone interact. energy: -0.197
local terms energy: -189.502405
where:
bonds (distance) C4'-P energy: -32.179
bonds (distance) P-C4' energy: -35.189
flat angles C4'-P-C4' energy: -40.579
flat angles P-C4'-P energy: -27.752
tors. eta vs tors. theta energy: -53.802
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: 4
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -470.043586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.043586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.043586 (E_RNA)
where:
Base-Base interactions energy: -293.313
where: short stacking energy: -132.128
Base-Backbone interact. energy: 0.119
local terms energy: -176.849557
where:
bonds (distance) C4'-P energy: -33.320
bonds (distance) P-C4' energy: -35.329
flat angles C4'-P-C4' energy: -38.751
flat angles P-C4'-P energy: -22.709
tors. eta vs tors. theta energy: -46.740
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: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -336.792247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.792247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.792247 (E_RNA)
where:
Base-Base interactions energy: -202.978
where: short stacking energy: -88.211
Base-Backbone interact. energy: -1.371
local terms energy: -132.443152
where:
bonds (distance) C4'-P energy: -30.940
bonds (distance) P-C4' energy: -33.456
flat angles C4'-P-C4' energy: -29.383
flat angles P-C4'-P energy: -23.019
tors. eta vs tors. theta energy: -15.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -197.022499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.022499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.022499 (E_RNA)
where:
Base-Base interactions energy: -80.304
where: short stacking energy: -59.469
Base-Backbone interact. energy: 0.962
local terms energy: -117.680299
where:
bonds (distance) C4'-P energy: -33.075
bonds (distance) P-C4' energy: -32.786
flat angles C4'-P-C4' energy: -27.266
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -8.301
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: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -179.739450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.739450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.739450 (E_RNA)
where:
Base-Base interactions energy: -65.389
where: short stacking energy: -51.726
Base-Backbone interact. energy: -1.834
local terms energy: -112.515832
where:
bonds (distance) C4'-P energy: -36.104
bonds (distance) P-C4' energy: -29.771
flat angles C4'-P-C4' energy: -32.643
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: 1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -177.740787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.740787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.740787 (E_RNA)
where:
Base-Base interactions energy: -62.939
where: short stacking energy: -38.479
Base-Backbone interact. energy: -0.309
local terms energy: -114.493167
where:
bonds (distance) C4'-P energy: -37.762
bonds (distance) P-C4' energy: -26.711
flat angles C4'-P-C4' energy: -30.355
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: -1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -163.847006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.847006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.847006 (E_RNA)
where:
Base-Base interactions energy: -47.811
where: short stacking energy: -41.087
Base-Backbone interact. energy: -1.190
local terms energy: -114.846443
where:
bonds (distance) C4'-P energy: -36.999
bonds (distance) P-C4' energy: -32.522
flat angles C4'-P-C4' energy: -24.891
flat angles P-C4'-P energy: -18.917
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -148.798472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.798472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.798472 (E_RNA)
where:
Base-Base interactions energy: -45.285
where: short stacking energy: -36.088
Base-Backbone interact. energy: 2.163
local terms energy: -105.676920
where:
bonds (distance) C4'-P energy: -25.688
bonds (distance) P-C4' energy: -34.272
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -18.838
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -539.235103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.235103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.235103 (E_RNA)
where:
Base-Base interactions energy: -359.163
where: short stacking energy: -163.924
Base-Backbone interact. energy: -0.377
local terms energy: -179.694343
where:
bonds (distance) C4'-P energy: -31.099
bonds (distance) P-C4' energy: -35.155
flat angles C4'-P-C4' energy: -39.304
flat angles P-C4'-P energy: -27.424
tors. eta vs tors. theta energy: -46.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -519.780120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.780120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.780120 (E_RNA)
where:
Base-Base interactions energy: -361.731
where: short stacking energy: -154.471
Base-Backbone interact. energy: -0.704
local terms energy: -157.345192
where:
bonds (distance) C4'-P energy: -32.723
bonds (distance) P-C4' energy: -29.701
flat angles C4'-P-C4' energy: -32.800
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -50.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -503.729059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.729059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.729059 (E_RNA)
where:
Base-Base interactions energy: -326.872
where: short stacking energy: -140.603
Base-Backbone interact. energy: -0.210
local terms energy: -176.646768
where:
bonds (distance) C4'-P energy: -34.411
bonds (distance) P-C4' energy: -33.462
flat angles C4'-P-C4' energy: -34.503
flat angles P-C4'-P energy: -22.207
tors. eta vs tors. theta energy: -52.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -450.935114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.935114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.935114 (E_RNA)
where:
Base-Base interactions energy: -277.911
where: short stacking energy: -127.809
Base-Backbone interact. energy: 0.198
local terms energy: -173.222548
where:
bonds (distance) C4'-P energy: -28.486
bonds (distance) P-C4' energy: -37.114
flat angles C4'-P-C4' energy: -39.571
flat angles P-C4'-P energy: -28.335
tors. eta vs tors. theta energy: -39.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -322.739764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.739764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.739764 (E_RNA)
where:
Base-Base interactions energy: -204.447
where: short stacking energy: -95.957
Base-Backbone interact. energy: -1.871
local terms energy: -116.421608
where:
bonds (distance) C4'-P energy: -27.312
bonds (distance) P-C4' energy: -28.697
flat angles C4'-P-C4' energy: -28.743
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -17.212
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: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -193.844765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.844765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.844765 (E_RNA)
where:
Base-Base interactions energy: -78.874
where: short stacking energy: -62.938
Base-Backbone interact. energy: -1.202
local terms energy: -113.768534
where:
bonds (distance) C4'-P energy: -27.006
bonds (distance) P-C4' energy: -35.084
flat angles C4'-P-C4' energy: -24.033
flat angles P-C4'-P energy: -25.234
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -208.252624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.252624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.252624 (E_RNA)
where:
Base-Base interactions energy: -92.032
where: short stacking energy: -61.771
Base-Backbone interact. energy: -1.154
local terms energy: -115.066247
where:
bonds (distance) C4'-P energy: -28.279
bonds (distance) P-C4' energy: -31.348
flat angles C4'-P-C4' energy: -29.744
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -181.031300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.031300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.031300 (E_RNA)
where:
Base-Base interactions energy: -56.657
where: short stacking energy: -50.961
Base-Backbone interact. energy: -0.575
local terms energy: -123.799121
where:
bonds (distance) C4'-P energy: -35.156
bonds (distance) P-C4' energy: -39.393
flat angles C4'-P-C4' energy: -24.302
flat angles P-C4'-P energy: -18.535
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -155.182587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.182587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.182587 (E_RNA)
where:
Base-Base interactions energy: -62.728
where: short stacking energy: -42.345
Base-Backbone interact. energy: 2.228
local terms energy: -94.682788
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -31.522
flat angles C4'-P-C4' energy: -26.703
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: 1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -150.972402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.972402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.972402 (E_RNA)
where:
Base-Base interactions energy: -59.278
where: short stacking energy: -42.206
Base-Backbone interact. energy: 3.212
local terms energy: -94.906669
where:
bonds (distance) C4'-P energy: -30.571
bonds (distance) P-C4' energy: -26.978
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -20.176
tors. eta vs tors. theta energy: 2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -543.614693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.614693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.614693 (E_RNA)
where:
Base-Base interactions energy: -369.012
where: short stacking energy: -150.951
Base-Backbone interact. energy: -0.570
local terms energy: -174.033110
where:
bonds (distance) C4'-P energy: -37.618
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -29.901
flat angles P-C4'-P energy: -22.354
tors. eta vs tors. theta energy: -47.487
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: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -523.865711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.865711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.865711 (E_RNA)
where:
Base-Base interactions energy: -334.749
where: short stacking energy: -174.962
Base-Backbone interact. energy: -0.580
local terms energy: -188.537111
where:
bonds (distance) C4'-P energy: -30.338
bonds (distance) P-C4' energy: -36.451
flat angles C4'-P-C4' energy: -39.162
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -58.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -495.850697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.850697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.850697 (E_RNA)
where:
Base-Base interactions energy: -333.065
where: short stacking energy: -157.394
Base-Backbone interact. energy: -0.881
local terms energy: -161.905072
where:
bonds (distance) C4'-P energy: -35.029
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -34.738
flat angles P-C4'-P energy: -20.045
tors. eta vs tors. theta energy: -47.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -459.919376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.919376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.919376 (E_RNA)
where:
Base-Base interactions energy: -302.172
where: short stacking energy: -137.780
Base-Backbone interact. energy: -0.429
local terms energy: -157.318056
where:
bonds (distance) C4'-P energy: -33.752
bonds (distance) P-C4' energy: -35.501
flat angles C4'-P-C4' energy: -36.579
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -33.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -353.341536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.341536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.341536 (E_RNA)
where:
Base-Base interactions energy: -207.272
where: short stacking energy: -91.220
Base-Backbone interact. energy: 0.480
local terms energy: -146.549121
where:
bonds (distance) C4'-P energy: -33.440
bonds (distance) P-C4' energy: -33.718
flat angles C4'-P-C4' energy: -34.880
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -25.424
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: 6, replica: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -210.674934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.674934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.674934 (E_RNA)
where:
Base-Base interactions energy: -94.035
where: short stacking energy: -71.924
Base-Backbone interact. energy: -0.467
local terms energy: -116.172243
where:
bonds (distance) C4'-P energy: -31.995
bonds (distance) P-C4' energy: -29.873
flat angles C4'-P-C4' energy: -30.060
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -6.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -232.649899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.649899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.649899 (E_RNA)
where:
Base-Base interactions energy: -110.631
where: short stacking energy: -85.151
Base-Backbone interact. energy: 0.068
local terms energy: -122.086604
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -30.563
flat angles C4'-P-C4' energy: -30.696
flat angles P-C4'-P energy: -24.173
tors. eta vs tors. theta energy: -13.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -176.044550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.044550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.044550 (E_RNA)
where:
Base-Base interactions energy: -61.768
where: short stacking energy: -59.397
Base-Backbone interact. energy: 0.641
local terms energy: -114.917304
where:
bonds (distance) C4'-P energy: -32.383
bonds (distance) P-C4' energy: -36.461
flat angles C4'-P-C4' energy: -27.202
flat angles P-C4'-P energy: -19.667
tors. eta vs tors. theta energy: 0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -165.909891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.909891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.909891 (E_RNA)
where:
Base-Base interactions energy: -56.904
where: short stacking energy: -29.140
Base-Backbone interact. energy: 0.449
local terms energy: -109.455427
where:
bonds (distance) C4'-P energy: -29.299
bonds (distance) P-C4' energy: -28.997
flat angles C4'-P-C4' energy: -33.314
flat angles P-C4'-P energy: -21.620
tors. eta vs tors. theta energy: 3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -161.480860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.480860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.480860 (E_RNA)
where:
Base-Base interactions energy: -55.803
where: short stacking energy: -47.646
Base-Backbone interact. energy: -0.266
local terms energy: -105.411555
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -28.451
flat angles C4'-P-C4' energy: -23.616
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: -5.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -532.205710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.205710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.205710 (E_RNA)
where:
Base-Base interactions energy: -339.444
where: short stacking energy: -171.650
Base-Backbone interact. energy: -0.130
local terms energy: -192.631978
where:
bonds (distance) C4'-P energy: -38.214
bonds (distance) P-C4' energy: -30.596
flat angles C4'-P-C4' energy: -40.218
flat angles P-C4'-P energy: -27.155
tors. eta vs tors. theta energy: -56.449
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: 224
Temperature: 0.950000
Total energy: -522.314383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.314383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.314383 (E_RNA)
where:
Base-Base interactions energy: -352.752
where: short stacking energy: -143.114
Base-Backbone interact. energy: -1.364
local terms energy: -168.198942
where:
bonds (distance) C4'-P energy: -32.116
bonds (distance) P-C4' energy: -30.567
flat angles C4'-P-C4' energy: -33.991
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: -45.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -483.366762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.366762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.366762 (E_RNA)
where:
Base-Base interactions energy: -320.053
where: short stacking energy: -142.930
Base-Backbone interact. energy: 1.589
local terms energy: -164.902622
where:
bonds (distance) C4'-P energy: -28.460
bonds (distance) P-C4' energy: -33.615
flat angles C4'-P-C4' energy: -35.821
flat angles P-C4'-P energy: -22.803
tors. eta vs tors. theta energy: -44.204
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: 4
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -456.800247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.800247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.800247 (E_RNA)
where:
Base-Base interactions energy: -296.785
where: short stacking energy: -129.051
Base-Backbone interact. energy: -1.093
local terms energy: -158.922542
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -30.588
flat angles C4'-P-C4' energy: -36.342
flat angles P-C4'-P energy: -23.507
tors. eta vs tors. theta energy: -38.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -350.884727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.884727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.884727 (E_RNA)
where:
Base-Base interactions energy: -209.039
where: short stacking energy: -101.756
Base-Backbone interact. energy: -0.774
local terms energy: -141.071607
where:
bonds (distance) C4'-P energy: -35.718
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -33.079
flat angles P-C4'-P energy: -25.359
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -183.333306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.333306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.333306 (E_RNA)
where:
Base-Base interactions energy: -68.899
where: short stacking energy: -58.193
Base-Backbone interact. energy: -0.482
local terms energy: -113.951687
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -35.410
flat angles C4'-P-C4' energy: -29.298
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -10.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -276.684764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.684764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.684764 (E_RNA)
where:
Base-Base interactions energy: -146.624
where: short stacking energy: -85.072
Base-Backbone interact. energy: 0.935
local terms energy: -130.995784
where:
bonds (distance) C4'-P energy: -31.495
bonds (distance) P-C4' energy: -36.118
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -15.255
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: 2
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -163.355485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.355485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.355485 (E_RNA)
where:
Base-Base interactions energy: -57.967
where: short stacking energy: -52.049
Base-Backbone interact. energy: 0.383
local terms energy: -105.771505
where:
bonds (distance) C4'-P energy: -24.493
bonds (distance) P-C4' energy: -33.228
flat angles C4'-P-C4' energy: -28.845
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -170.006621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.006621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.006621 (E_RNA)
where:
Base-Base interactions energy: -65.454
where: short stacking energy: -40.886
Base-Backbone interact. energy: 0.791
local terms energy: -105.344144
where:
bonds (distance) C4'-P energy: -26.854
bonds (distance) P-C4' energy: -35.975
flat angles C4'-P-C4' energy: -28.859
flat angles P-C4'-P energy: -18.294
tors. eta vs tors. theta energy: 4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -142.638738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.638738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.638738 (E_RNA)
where:
Base-Base interactions energy: -44.457
where: short stacking energy: -45.217
Base-Backbone interact. energy: -0.652
local terms energy: -97.530291
where:
bonds (distance) C4'-P energy: -31.006
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -32.826
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: 5.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -547.947158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.947158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.947158 (E_RNA)
where:
Base-Base interactions energy: -355.118
where: short stacking energy: -162.972
Base-Backbone interact. energy: -0.431
local terms energy: -192.397627
where:
bonds (distance) C4'-P energy: -29.873
bonds (distance) P-C4' energy: -36.154
flat angles C4'-P-C4' energy: -42.883
flat angles P-C4'-P energy: -31.295
tors. eta vs tors. theta energy: -52.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -522.070447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.070447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.070447 (E_RNA)
where:
Base-Base interactions energy: -352.714
where: short stacking energy: -138.799
Base-Backbone interact. energy: 1.507
local terms energy: -170.863145
where:
bonds (distance) C4'-P energy: -34.236
bonds (distance) P-C4' energy: -37.302
flat angles C4'-P-C4' energy: -35.312
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -41.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -485.901364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.901364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.901364 (E_RNA)
where:
Base-Base interactions energy: -317.341
where: short stacking energy: -134.300
Base-Backbone interact. energy: -0.231
local terms energy: -168.329398
where:
bonds (distance) C4'-P energy: -37.726
bonds (distance) P-C4' energy: -28.937
flat angles C4'-P-C4' energy: -32.206
flat angles P-C4'-P energy: -28.793
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: 4, replica: 4
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -451.355784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.355784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.355784 (E_RNA)
where:
Base-Base interactions energy: -289.888
where: short stacking energy: -120.997
Base-Backbone interact. energy: 0.356
local terms energy: -161.823403
where:
bonds (distance) C4'-P energy: -30.508
bonds (distance) P-C4' energy: -32.972
flat angles C4'-P-C4' energy: -37.000
flat angles P-C4'-P energy: -23.362
tors. eta vs tors. theta energy: -37.982
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: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -365.737543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.737543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.737543 (E_RNA)
where:
Base-Base interactions energy: -223.138
where: short stacking energy: -109.076
Base-Backbone interact. energy: -0.379
local terms energy: -142.220810
where:
bonds (distance) C4'-P energy: -28.198
bonds (distance) P-C4' energy: -28.089
flat angles C4'-P-C4' energy: -34.700
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -29.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -258.756282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.756282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.756282 (E_RNA)
where:
Base-Base interactions energy: -134.059
where: short stacking energy: -66.339
Base-Backbone interact. energy: 0.438
local terms energy: -125.135675
where:
bonds (distance) C4'-P energy: -32.184
bonds (distance) P-C4' energy: -31.190
flat angles C4'-P-C4' energy: -32.479
flat angles P-C4'-P energy: -23.938
tors. eta vs tors. theta energy: -5.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -180.806626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.806626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.806626 (E_RNA)
where:
Base-Base interactions energy: -67.580
where: short stacking energy: -65.584
Base-Backbone interact. energy: -0.225
local terms energy: -113.001895
where:
bonds (distance) C4'-P energy: -29.508
bonds (distance) P-C4' energy: -29.541
flat angles C4'-P-C4' energy: -29.862
flat angles P-C4'-P energy: -16.373
tors. eta vs tors. theta energy: -7.718
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: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -160.833130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.833130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.833130 (E_RNA)
where:
Base-Base interactions energy: -50.931
where: short stacking energy: -50.931
Base-Backbone interact. energy: -0.330
local terms energy: -109.572937
where:
bonds (distance) C4'-P energy: -23.899
bonds (distance) P-C4' energy: -35.263
flat angles C4'-P-C4' energy: -31.095
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -150.937891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.937891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.937891 (E_RNA)
where:
Base-Base interactions energy: -52.957
where: short stacking energy: -44.912
Base-Backbone interact. energy: -0.745
local terms energy: -97.235875
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -27.820
flat angles C4'-P-C4' energy: -27.458
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: -0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -163.143236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.143236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.143236 (E_RNA)
where:
Base-Base interactions energy: -53.839
where: short stacking energy: -33.268
Base-Backbone interact. energy: -0.490
local terms energy: -108.814863
where:
bonds (distance) C4'-P energy: -32.307
bonds (distance) P-C4' energy: -34.744
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -23.863
tors. eta vs tors. theta energy: 4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -541.489992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.489992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.489992 (E_RNA)
where:
Base-Base interactions energy: -356.047
where: short stacking energy: -159.309
Base-Backbone interact. energy: -1.086
local terms energy: -184.356781
where:
bonds (distance) C4'-P energy: -32.919
bonds (distance) P-C4' energy: -35.502
flat angles C4'-P-C4' energy: -41.444
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -55.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -528.503852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.503852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.503852 (E_RNA)
where:
Base-Base interactions energy: -349.273
where: short stacking energy: -150.063
Base-Backbone interact. energy: -0.145
local terms energy: -179.085592
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -34.535
flat angles C4'-P-C4' energy: -37.285
flat angles P-C4'-P energy: -28.487
tors. eta vs tors. theta energy: -47.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -478.108525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.108525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.108525 (E_RNA)
where:
Base-Base interactions energy: -314.096
where: short stacking energy: -135.063
Base-Backbone interact. energy: 3.025
local terms energy: -167.037441
where:
bonds (distance) C4'-P energy: -37.096
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -36.207
flat angles P-C4'-P energy: -24.630
tors. eta vs tors. theta energy: -47.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -438.425067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.425067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.425067 (E_RNA)
where:
Base-Base interactions energy: -293.266
where: short stacking energy: -126.696
Base-Backbone interact. energy: -0.134
local terms energy: -145.025408
where:
bonds (distance) C4'-P energy: -25.740
bonds (distance) P-C4' energy: -35.462
flat angles C4'-P-C4' energy: -24.993
flat angles P-C4'-P energy: -21.832
tors. eta vs tors. theta energy: -36.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -364.015111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.015111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.015111 (E_RNA)
where:
Base-Base interactions energy: -237.725
where: short stacking energy: -104.016
Base-Backbone interact. energy: -1.668
local terms energy: -124.621904
where:
bonds (distance) C4'-P energy: -31.720
bonds (distance) P-C4' energy: -30.343
flat angles C4'-P-C4' energy: -26.584
flat angles P-C4'-P energy: -20.071
tors. eta vs tors. theta energy: -15.904
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: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -253.621924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.621924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.621924 (E_RNA)
where:
Base-Base interactions energy: -134.155
where: short stacking energy: -78.009
Base-Backbone interact. energy: -0.195
local terms energy: -119.271773
where:
bonds (distance) C4'-P energy: -31.523
bonds (distance) P-C4' energy: -33.601
flat angles C4'-P-C4' energy: -26.483
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -181.602588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.602588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.602588 (E_RNA)
where:
Base-Base interactions energy: -66.008
where: short stacking energy: -46.858
Base-Backbone interact. energy: -0.336
local terms energy: -115.258677
where:
bonds (distance) C4'-P energy: -31.264
bonds (distance) P-C4' energy: -38.543
flat angles C4'-P-C4' energy: -30.414
flat angles P-C4'-P energy: -19.476
tors. eta vs tors. theta energy: 4.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -159.349255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.349255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.349255 (E_RNA)
where:
Base-Base interactions energy: -49.680
where: short stacking energy: -41.091
Base-Backbone interact. energy: 1.057
local terms energy: -110.726315
where:
bonds (distance) C4'-P energy: -25.910
bonds (distance) P-C4' energy: -35.662
flat angles C4'-P-C4' energy: -33.473
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -153.402890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.402890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.402890 (E_RNA)
where:
Base-Base interactions energy: -51.141
where: short stacking energy: -46.725
Base-Backbone interact. energy: -1.017
local terms energy: -101.244932
where:
bonds (distance) C4'-P energy: -30.228
bonds (distance) P-C4' energy: -35.942
flat angles C4'-P-C4' energy: -25.387
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: 5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -150.773831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.773831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.773831 (E_RNA)
where:
Base-Base interactions energy: -51.571
where: short stacking energy: -35.378
Base-Backbone interact. energy: -1.155
local terms energy: -98.048434
where:
bonds (distance) C4'-P energy: -22.883
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -26.369
flat angles P-C4'-P energy: -17.492
tors. eta vs tors. theta energy: -7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -548.069267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.069267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.069267 (E_RNA)
where:
Base-Base interactions energy: -356.852
where: short stacking energy: -174.785
Base-Backbone interact. energy: -0.546
local terms energy: -190.671955
where:
bonds (distance) C4'-P energy: -32.963
bonds (distance) P-C4' energy: -32.222
flat angles C4'-P-C4' energy: -39.938
flat angles P-C4'-P energy: -29.201
tors. eta vs tors. theta energy: -56.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -520.988961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.988961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.988961 (E_RNA)
where:
Base-Base interactions energy: -345.355
where: short stacking energy: -145.927
Base-Backbone interact. energy: -1.409
local terms energy: -174.225524
where:
bonds (distance) C4'-P energy: -32.430
bonds (distance) P-C4' energy: -36.056
flat angles C4'-P-C4' energy: -33.705
flat angles P-C4'-P energy: -28.090
tors. eta vs tors. theta energy: -43.944
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: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -473.801719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.801719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.801719 (E_RNA)
where:
Base-Base interactions energy: -311.009
where: short stacking energy: -155.293
Base-Backbone interact. energy: 2.272
local terms energy: -165.064591
where:
bonds (distance) C4'-P energy: -32.765
bonds (distance) P-C4' energy: -37.057
flat angles C4'-P-C4' energy: -26.793
flat angles P-C4'-P energy: -20.884
tors. eta vs tors. theta energy: -47.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -372.502367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.502367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.502367 (E_RNA)
where:
Base-Base interactions energy: -226.614
where: short stacking energy: -100.732
Base-Backbone interact. energy: 0.156
local terms energy: -146.043850
where:
bonds (distance) C4'-P energy: -33.490
bonds (distance) P-C4' energy: -35.026
flat angles C4'-P-C4' energy: -39.067
flat angles P-C4'-P energy: -23.318
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -383.139939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.139939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.139939 (E_RNA)
where:
Base-Base interactions energy: -240.103
where: short stacking energy: -111.236
Base-Backbone interact. energy: -0.158
local terms energy: -142.878713
where:
bonds (distance) C4'-P energy: -28.969
bonds (distance) P-C4' energy: -37.834
flat angles C4'-P-C4' energy: -23.619
flat angles P-C4'-P energy: -25.388
tors. eta vs tors. theta energy: -27.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -265.476175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.476175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.476175 (E_RNA)
where:
Base-Base interactions energy: -144.922
where: short stacking energy: -70.810
Base-Backbone interact. energy: -0.610
local terms energy: -119.943933
where:
bonds (distance) C4'-P energy: -34.149
bonds (distance) P-C4' energy: -33.788
flat angles C4'-P-C4' energy: -29.924
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -14.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -181.525533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.525533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.525533 (E_RNA)
where:
Base-Base interactions energy: -59.756
where: short stacking energy: -45.858
Base-Backbone interact. energy: -1.417
local terms energy: -120.353212
where:
bonds (distance) C4'-P energy: -38.582
bonds (distance) P-C4' energy: -31.772
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -23.227
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: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -174.991340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.991340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.991340 (E_RNA)
where:
Base-Base interactions energy: -65.012
where: short stacking energy: -47.068
Base-Backbone interact. energy: -0.268
local terms energy: -109.710738
where:
bonds (distance) C4'-P energy: -34.946
bonds (distance) P-C4' energy: -26.857
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -16.333
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: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -144.926602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.926602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.926602 (E_RNA)
where:
Base-Base interactions energy: -56.299
where: short stacking energy: -49.197
Base-Backbone interact. energy: -0.202
local terms energy: -88.425805
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -33.400
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: 5.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -144.702260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.702260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.702260 (E_RNA)
where:
Base-Base interactions energy: -44.429
where: short stacking energy: -32.799
Base-Backbone interact. energy: 0.575
local terms energy: -100.848892
where:
bonds (distance) C4'-P energy: -30.690
bonds (distance) P-C4' energy: -29.262
flat angles C4'-P-C4' energy: -25.118
flat angles P-C4'-P energy: -20.547
tors. eta vs tors. theta energy: 4.768
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: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -539.604314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.604314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.604314 (E_RNA)
where:
Base-Base interactions energy: -352.454
where: short stacking energy: -154.834
Base-Backbone interact. energy: -1.115
local terms energy: -186.035204
where:
bonds (distance) C4'-P energy: -34.464
bonds (distance) P-C4' energy: -37.068
flat angles C4'-P-C4' energy: -37.975
flat angles P-C4'-P energy: -29.131
tors. eta vs tors. theta energy: -47.398
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: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -536.482051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.482051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.482051 (E_RNA)
where:
Base-Base interactions energy: -348.955
where: short stacking energy: -159.781
Base-Backbone interact. energy: -0.179
local terms energy: -187.347710
where:
bonds (distance) C4'-P energy: -32.851
bonds (distance) P-C4' energy: -33.164
flat angles C4'-P-C4' energy: -40.404
flat angles P-C4'-P energy: -27.976
tors. eta vs tors. theta energy: -52.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -492.199208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.199208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.199208 (E_RNA)
where:
Base-Base interactions energy: -308.522
where: short stacking energy: -161.816
Base-Backbone interact. energy: -0.866
local terms energy: -182.811700
where:
bonds (distance) C4'-P energy: -37.881
bonds (distance) P-C4' energy: -34.553
flat angles C4'-P-C4' energy: -38.098
flat angles P-C4'-P energy: -26.910
tors. eta vs tors. theta energy: -45.369
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: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -405.960755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.960755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.960755 (E_RNA)
where:
Base-Base interactions energy: -242.556
where: short stacking energy: -120.903
Base-Backbone interact. energy: -0.271
local terms energy: -163.133561
where:
bonds (distance) C4'-P energy: -30.086
bonds (distance) P-C4' energy: -37.857
flat angles C4'-P-C4' energy: -32.891
flat angles P-C4'-P energy: -30.810
tors. eta vs tors. theta energy: -31.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -386.837553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.837553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.837553 (E_RNA)
where:
Base-Base interactions energy: -238.174
where: short stacking energy: -109.898
Base-Backbone interact. energy: 0.150
local terms energy: -148.813440
where:
bonds (distance) C4'-P energy: -32.828
bonds (distance) P-C4' energy: -32.018
flat angles C4'-P-C4' energy: -33.184
flat angles P-C4'-P energy: -21.979
tors. eta vs tors. theta energy: -28.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -263.591122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.591122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.591122 (E_RNA)
where:
Base-Base interactions energy: -145.164
where: short stacking energy: -72.149
Base-Backbone interact. energy: -0.282
local terms energy: -118.145035
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -34.203
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -175.792463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.792463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.792463 (E_RNA)
where:
Base-Base interactions energy: -69.484
where: short stacking energy: -50.679
Base-Backbone interact. energy: -0.644
local terms energy: -105.664735
where:
bonds (distance) C4'-P energy: -30.319
bonds (distance) P-C4' energy: -37.660
flat angles C4'-P-C4' energy: -23.775
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: 5.214
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: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -156.782224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.782224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.782224 (E_RNA)
where:
Base-Base interactions energy: -55.158
where: short stacking energy: -45.642
Base-Backbone interact. energy: -0.240
local terms energy: -101.384806
where:
bonds (distance) C4'-P energy: -37.822
bonds (distance) P-C4' energy: -29.505
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -6.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -152.569034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.569034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.569034 (E_RNA)
where:
Base-Base interactions energy: -35.766
where: short stacking energy: -34.674
Base-Backbone interact. energy: -0.499
local terms energy: -116.303848
where:
bonds (distance) C4'-P energy: -38.488
bonds (distance) P-C4' energy: -36.067
flat angles C4'-P-C4' energy: -30.282
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: 5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -156.837611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.837611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.837611 (E_RNA)
where:
Base-Base interactions energy: -46.754
where: short stacking energy: -38.099
Base-Backbone interact. energy: -0.916
local terms energy: -109.167447
where:
bonds (distance) C4'-P energy: -28.307
bonds (distance) P-C4' energy: -33.657
flat angles C4'-P-C4' energy: -30.659
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: 1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -535.755095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.755095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.755095 (E_RNA)
where:
Base-Base interactions energy: -356.562
where: short stacking energy: -156.674
Base-Backbone interact. energy: -1.094
local terms energy: -178.098979
where:
bonds (distance) C4'-P energy: -30.583
bonds (distance) P-C4' energy: -33.916
flat angles C4'-P-C4' energy: -39.009
flat angles P-C4'-P energy: -28.520
tors. eta vs tors. theta energy: -46.070
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: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -521.046142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.046142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.046142 (E_RNA)
where:
Base-Base interactions energy: -343.664
where: short stacking energy: -165.637
Base-Backbone interact. energy: 0.759
local terms energy: -178.141856
where:
bonds (distance) C4'-P energy: -28.013
bonds (distance) P-C4' energy: -39.075
flat angles C4'-P-C4' energy: -34.990
flat angles P-C4'-P energy: -24.405
tors. eta vs tors. theta energy: -51.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -469.474173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.474173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.474173 (E_RNA)
where:
Base-Base interactions energy: -323.113
where: short stacking energy: -152.594
Base-Backbone interact. energy: -0.303
local terms energy: -146.058360
where:
bonds (distance) C4'-P energy: -32.126
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -34.617
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -40.411
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: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -401.340247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.340247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.340247 (E_RNA)
where:
Base-Base interactions energy: -245.209
where: short stacking energy: -124.983
Base-Backbone interact. energy: -0.499
local terms energy: -155.631430
where:
bonds (distance) C4'-P energy: -33.933
bonds (distance) P-C4' energy: -31.796
flat angles C4'-P-C4' energy: -36.210
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -31.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -410.122094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.122094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.122094 (E_RNA)
where:
Base-Base interactions energy: -247.588
where: short stacking energy: -112.796
Base-Backbone interact. energy: -0.260
local terms energy: -162.274992
where:
bonds (distance) C4'-P energy: -34.496
bonds (distance) P-C4' energy: -31.328
flat angles C4'-P-C4' energy: -40.287
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -38.359
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: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -289.574166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.574166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.574166 (E_RNA)
where:
Base-Base interactions energy: -145.963
where: short stacking energy: -62.867
Base-Backbone interact. energy: -0.516
local terms energy: -143.095606
where:
bonds (distance) C4'-P energy: -33.440
bonds (distance) P-C4' energy: -34.704
flat angles C4'-P-C4' energy: -36.956
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -17.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -195.512229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.512229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.512229 (E_RNA)
where:
Base-Base interactions energy: -78.571
where: short stacking energy: -70.858
Base-Backbone interact. energy: -1.461
local terms energy: -115.479531
where:
bonds (distance) C4'-P energy: -32.405
bonds (distance) P-C4' energy: -33.267
flat angles C4'-P-C4' energy: -29.732
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -192.194321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.194321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.194321 (E_RNA)
where:
Base-Base interactions energy: -79.738
where: short stacking energy: -47.197
Base-Backbone interact. energy: -1.328
local terms energy: -111.127901
where:
bonds (distance) C4'-P energy: -28.713
bonds (distance) P-C4' energy: -36.132
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -19.714
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: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -163.753700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.753700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.753700 (E_RNA)
where:
Base-Base interactions energy: -49.256
where: short stacking energy: -42.318
Base-Backbone interact. energy: -0.005
local terms energy: -114.493138
where:
bonds (distance) C4'-P energy: -38.082
bonds (distance) P-C4' energy: -35.575
flat angles C4'-P-C4' energy: -26.653
flat angles P-C4'-P energy: -20.476
tors. eta vs tors. theta energy: 6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -150.671637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.671637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.671637 (E_RNA)
where:
Base-Base interactions energy: -51.282
where: short stacking energy: -49.585
Base-Backbone interact. energy: -1.520
local terms energy: -97.869711
where:
bonds (distance) C4'-P energy: -33.814
bonds (distance) P-C4' energy: -31.708
flat angles C4'-P-C4' energy: -25.475
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: 5.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -532.039040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.039040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.039040 (E_RNA)
where:
Base-Base interactions energy: -344.350
where: short stacking energy: -154.819
Base-Backbone interact. energy: -0.290
local terms energy: -187.398495
where:
bonds (distance) C4'-P energy: -34.057
bonds (distance) P-C4' energy: -35.334
flat angles C4'-P-C4' energy: -41.317
flat angles P-C4'-P energy: -20.916
tors. eta vs tors. theta energy: -55.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -516.049785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.049785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.049785 (E_RNA)
where:
Base-Base interactions energy: -344.211
where: short stacking energy: -148.881
Base-Backbone interact. energy: -1.566
local terms energy: -170.272748
where:
bonds (distance) C4'-P energy: -28.497
bonds (distance) P-C4' energy: -35.157
flat angles C4'-P-C4' energy: -36.492
flat angles P-C4'-P energy: -27.353
tors. eta vs tors. theta energy: -42.775
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: 6
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -490.468695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.468695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.468695 (E_RNA)
where:
Base-Base interactions energy: -322.710
where: short stacking energy: -152.093
Base-Backbone interact. energy: 4.992
local terms energy: -172.750613
where:
bonds (distance) C4'-P energy: -26.290
bonds (distance) P-C4' energy: -32.313
flat angles C4'-P-C4' energy: -40.724
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: -48.828
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: 4
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -405.728903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.728903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.728903 (E_RNA)
where:
Base-Base interactions energy: -267.866
where: short stacking energy: -122.654
Base-Backbone interact. energy: -0.354
local terms energy: -137.509479
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -23.447
flat angles C4'-P-C4' energy: -24.211
flat angles P-C4'-P energy: -30.034
tors. eta vs tors. theta energy: -40.684
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: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -425.558290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.558290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.558290 (E_RNA)
where:
Base-Base interactions energy: -266.432
where: short stacking energy: -121.597
Base-Backbone interact. energy: -0.313
local terms energy: -158.813086
where:
bonds (distance) C4'-P energy: -29.300
bonds (distance) P-C4' energy: -37.319
flat angles C4'-P-C4' energy: -32.275
flat angles P-C4'-P energy: -20.308
tors. eta vs tors. theta energy: -39.611
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: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -305.364128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.364128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.364128 (E_RNA)
where:
Base-Base interactions energy: -165.012
where: short stacking energy: -63.708
Base-Backbone interact. energy: -0.792
local terms energy: -139.560069
where:
bonds (distance) C4'-P energy: -27.000
bonds (distance) P-C4' energy: -37.304
flat angles C4'-P-C4' energy: -33.695
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -22.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -225.183098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.183098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.183098 (E_RNA)
where:
Base-Base interactions energy: -111.665
where: short stacking energy: -56.256
Base-Backbone interact. energy: 0.154
local terms energy: -113.671532
where:
bonds (distance) C4'-P energy: -37.033
bonds (distance) P-C4' energy: -26.807
flat angles C4'-P-C4' energy: -34.781
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -1.158
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: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -186.244429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.244429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.244429 (E_RNA)
where:
Base-Base interactions energy: -91.201
where: short stacking energy: -55.283
Base-Backbone interact. energy: 0.347
local terms energy: -95.390192
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -30.103
flat angles C4'-P-C4' energy: -26.730
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -153.840514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.840514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.840514 (E_RNA)
where:
Base-Base interactions energy: -49.484
where: short stacking energy: -38.239
Base-Backbone interact. energy: -0.019
local terms energy: -104.338062
where:
bonds (distance) C4'-P energy: -29.684
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -32.153
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: 2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -167.732781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.732781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.732781 (E_RNA)
where:
Base-Base interactions energy: -61.792
where: short stacking energy: -50.157
Base-Backbone interact. energy: -1.353
local terms energy: -104.588044
where:
bonds (distance) C4'-P energy: -33.329
bonds (distance) P-C4' energy: -29.581
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: 2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -545.069894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.069894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.069894 (E_RNA)
where:
Base-Base interactions energy: -355.611
where: short stacking energy: -166.690
Base-Backbone interact. energy: -0.768
local terms energy: -188.690250
where:
bonds (distance) C4'-P energy: -41.820
bonds (distance) P-C4' energy: -30.543
flat angles C4'-P-C4' energy: -36.269
flat angles P-C4'-P energy: -24.145
tors. eta vs tors. theta energy: -55.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -487.567598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.567598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.567598 (E_RNA)
where:
Base-Base interactions energy: -314.274
where: short stacking energy: -142.936
Base-Backbone interact. energy: -0.557
local terms energy: -172.737022
where:
bonds (distance) C4'-P energy: -28.794
bonds (distance) P-C4' energy: -30.085
flat angles C4'-P-C4' energy: -34.987
flat angles P-C4'-P energy: -32.989
tors. eta vs tors. theta energy: -45.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -498.071582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.071582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.071582 (E_RNA)
where:
Base-Base interactions energy: -323.791
where: short stacking energy: -142.460
Base-Backbone interact. energy: 0.858
local terms energy: -175.138152
where:
bonds (distance) C4'-P energy: -27.938
bonds (distance) P-C4' energy: -34.140
flat angles C4'-P-C4' energy: -39.130
flat angles P-C4'-P energy: -26.230
tors. eta vs tors. theta energy: -47.700
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: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -414.830244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.830244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.830244 (E_RNA)
where:
Base-Base interactions energy: -260.317
where: short stacking energy: -117.945
Base-Backbone interact. energy: -0.770
local terms energy: -153.742955
where:
bonds (distance) C4'-P energy: -34.590
bonds (distance) P-C4' energy: -27.573
flat angles C4'-P-C4' energy: -38.403
flat angles P-C4'-P energy: -20.534
tors. eta vs tors. theta energy: -32.642
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: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -388.044992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.044992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.044992 (E_RNA)
where:
Base-Base interactions energy: -234.146
where: short stacking energy: -119.457
Base-Backbone interact. energy: -0.570
local terms energy: -153.328873
where:
bonds (distance) C4'-P energy: -27.225
bonds (distance) P-C4' energy: -33.713
flat angles C4'-P-C4' energy: -32.503
flat angles P-C4'-P energy: -23.421
tors. eta vs tors. theta energy: -36.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -311.452791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.452791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.452791 (E_RNA)
where:
Base-Base interactions energy: -172.475
where: short stacking energy: -84.892
Base-Backbone interact. energy: -0.871
local terms energy: -138.106628
where:
bonds (distance) C4'-P energy: -34.516
bonds (distance) P-C4' energy: -32.809
flat angles C4'-P-C4' energy: -33.250
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -179.073937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.073937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.073937 (E_RNA)
where:
Base-Base interactions energy: -71.776
where: short stacking energy: -55.414
Base-Backbone interact. energy: -0.802
local terms energy: -106.496497
where:
bonds (distance) C4'-P energy: -31.630
bonds (distance) P-C4' energy: -28.015
flat angles C4'-P-C4' energy: -27.204
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -7.898
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: 2
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -180.949645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.949645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.949645 (E_RNA)
where:
Base-Base interactions energy: -66.251
where: short stacking energy: -41.131
Base-Backbone interact. energy: -0.221
local terms energy: -114.478185
where:
bonds (distance) C4'-P energy: -36.564
bonds (distance) P-C4' energy: -29.498
flat angles C4'-P-C4' energy: -26.246
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: 1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -159.707465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.707465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.707465 (E_RNA)
where:
Base-Base interactions energy: -48.714
where: short stacking energy: -47.396
Base-Backbone interact. energy: 2.087
local terms energy: -113.080286
where:
bonds (distance) C4'-P energy: -29.816
bonds (distance) P-C4' energy: -31.609
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -4.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -165.143914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.143914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.143914 (E_RNA)
where:
Base-Base interactions energy: -51.973
where: short stacking energy: -42.521
Base-Backbone interact. energy: -0.332
local terms energy: -112.838749
where:
bonds (distance) C4'-P energy: -30.125
bonds (distance) P-C4' energy: -35.808
flat angles C4'-P-C4' energy: -25.407
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -5.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -537.133224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.133224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.133224 (E_RNA)
where:
Base-Base interactions energy: -354.857
where: short stacking energy: -162.856
Base-Backbone interact. energy: 0.739
local terms energy: -183.015376
where:
bonds (distance) C4'-P energy: -29.057
bonds (distance) P-C4' energy: -37.431
flat angles C4'-P-C4' energy: -37.573
flat angles P-C4'-P energy: -28.350
tors. eta vs tors. theta energy: -50.605
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: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -498.160158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.160158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.160158 (E_RNA)
where:
Base-Base interactions energy: -331.105
where: short stacking energy: -128.607
Base-Backbone interact. energy: -1.093
local terms energy: -165.961902
where:
bonds (distance) C4'-P energy: -33.268
bonds (distance) P-C4' energy: -35.924
flat angles C4'-P-C4' energy: -37.549
flat angles P-C4'-P energy: -25.819
tors. eta vs tors. theta energy: -33.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -484.148129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.148129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.148129 (E_RNA)
where:
Base-Base interactions energy: -302.624
where: short stacking energy: -134.801
Base-Backbone interact. energy: -1.410
local terms energy: -180.113639
where:
bonds (distance) C4'-P energy: -37.788
bonds (distance) P-C4' energy: -33.361
flat angles C4'-P-C4' energy: -29.849
flat angles P-C4'-P energy: -31.885
tors. eta vs tors. theta energy: -47.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -430.610581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.610581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.610581 (E_RNA)
where:
Base-Base interactions energy: -271.278
where: short stacking energy: -113.056
Base-Backbone interact. energy: -0.760
local terms energy: -158.572063
where:
bonds (distance) C4'-P energy: -30.043
bonds (distance) P-C4' energy: -32.733
flat angles C4'-P-C4' energy: -37.935
flat angles P-C4'-P energy: -24.135
tors. eta vs tors. theta energy: -33.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -388.282058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.282058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.282058 (E_RNA)
where:
Base-Base interactions energy: -233.690
where: short stacking energy: -126.141
Base-Backbone interact. energy: -0.431
local terms energy: -154.160810
where:
bonds (distance) C4'-P energy: -31.375
bonds (distance) P-C4' energy: -31.561
flat angles C4'-P-C4' energy: -27.287
flat angles P-C4'-P energy: -27.199
tors. eta vs tors. theta energy: -36.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -338.917501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.917501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.917501 (E_RNA)
where:
Base-Base interactions energy: -185.186
where: short stacking energy: -100.942
Base-Backbone interact. energy: 1.536
local terms energy: -155.267437
where:
bonds (distance) C4'-P energy: -33.048
bonds (distance) P-C4' energy: -37.484
flat angles C4'-P-C4' energy: -27.638
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: -32.901
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: 7, replica: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -199.681658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.681658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.681658 (E_RNA)
where:
Base-Base interactions energy: -73.633
where: short stacking energy: -50.682
Base-Backbone interact. energy: 0.266
local terms energy: -126.314746
where:
bonds (distance) C4'-P energy: -29.078
bonds (distance) P-C4' energy: -35.959
flat angles C4'-P-C4' energy: -32.482
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -12.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -168.012459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.012459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.012459 (E_RNA)
where:
Base-Base interactions energy: -64.232
where: short stacking energy: -38.351
Base-Backbone interact. energy: 3.228
local terms energy: -107.008001
where:
bonds (distance) C4'-P energy: -32.659
bonds (distance) P-C4' energy: -34.801
flat angles C4'-P-C4' energy: -28.795
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: 2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -146.899773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.899773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.899773 (E_RNA)
where:
Base-Base interactions energy: -44.336
where: short stacking energy: -33.735
Base-Backbone interact. energy: 3.042
local terms energy: -105.605774
where:
bonds (distance) C4'-P energy: -27.876
bonds (distance) P-C4' energy: -29.080
flat angles C4'-P-C4' energy: -30.661
flat angles P-C4'-P energy: -25.294
tors. eta vs tors. theta energy: 7.305
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: 10, replica: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -148.802569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.802569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.802569 (E_RNA)
where:
Base-Base interactions energy: -43.783
where: short stacking energy: -41.649
Base-Backbone interact. energy: -0.367
local terms energy: -104.651894
where:
bonds (distance) C4'-P energy: -31.660
bonds (distance) P-C4' energy: -31.411
flat angles C4'-P-C4' energy: -25.304
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -545.825924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.825924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.825924 (E_RNA)
where:
Base-Base interactions energy: -364.194
where: short stacking energy: -155.165
Base-Backbone interact. energy: -0.281
local terms energy: -181.351322
where:
bonds (distance) C4'-P energy: -35.059
bonds (distance) P-C4' energy: -33.707
flat angles C4'-P-C4' energy: -37.039
flat angles P-C4'-P energy: -27.718
tors. eta vs tors. theta energy: -47.829
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: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -479.911793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.911793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.911793 (E_RNA)
where:
Base-Base interactions energy: -312.401
where: short stacking energy: -132.901
Base-Backbone interact. energy: -0.832
local terms energy: -166.678209
where:
bonds (distance) C4'-P energy: -33.837
bonds (distance) P-C4' energy: -39.264
flat angles C4'-P-C4' energy: -33.676
flat angles P-C4'-P energy: -21.736
tors. eta vs tors. theta energy: -38.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -475.042607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.042607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.042607 (E_RNA)
where:
Base-Base interactions energy: -300.136
where: short stacking energy: -134.193
Base-Backbone interact. energy: -0.484
local terms energy: -174.422732
where:
bonds (distance) C4'-P energy: -35.804
bonds (distance) P-C4' energy: -37.423
flat angles C4'-P-C4' energy: -35.469
flat angles P-C4'-P energy: -28.786
tors. eta vs tors. theta energy: -36.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -418.590803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.590803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.590803 (E_RNA)
where:
Base-Base interactions energy: -250.532
where: short stacking energy: -124.634
Base-Backbone interact. energy: -0.309
local terms energy: -167.749099
where:
bonds (distance) C4'-P energy: -31.076
bonds (distance) P-C4' energy: -35.718
flat angles C4'-P-C4' energy: -37.721
flat angles P-C4'-P energy: -26.925
tors. eta vs tors. theta energy: -36.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -372.132438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.132438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.132438 (E_RNA)
where:
Base-Base interactions energy: -249.862
where: short stacking energy: -113.100
Base-Backbone interact. energy: 1.188
local terms energy: -123.458107
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -24.727
flat angles C4'-P-C4' energy: -33.009
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -27.223
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: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -284.718492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.718492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.718492 (E_RNA)
where:
Base-Base interactions energy: -147.451
where: short stacking energy: -81.119
Base-Backbone interact. energy: -1.398
local terms energy: -135.868884
where:
bonds (distance) C4'-P energy: -35.758
bonds (distance) P-C4' energy: -34.303
flat angles C4'-P-C4' energy: -32.922
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -213.629561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.629561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.629561 (E_RNA)
where:
Base-Base interactions energy: -98.055
where: short stacking energy: -58.366
Base-Backbone interact. energy: -0.420
local terms energy: -115.153998
where:
bonds (distance) C4'-P energy: -32.907
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -172.150442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.150442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.150442 (E_RNA)
where:
Base-Base interactions energy: -63.863
where: short stacking energy: -55.258
Base-Backbone interact. energy: 0.112
local terms energy: -108.399406
where:
bonds (distance) C4'-P energy: -30.129
bonds (distance) P-C4' energy: -34.413
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -156.684900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.684900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.684900 (E_RNA)
where:
Base-Base interactions energy: -67.622
where: short stacking energy: -57.733
Base-Backbone interact. energy: -0.839
local terms energy: -88.224265
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -30.421
flat angles C4'-P-C4' energy: -24.450
flat angles P-C4'-P energy: -2.212
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -146.695365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.695365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.695365 (E_RNA)
where:
Base-Base interactions energy: -46.048
where: short stacking energy: -20.070
Base-Backbone interact. energy: -0.530
local terms energy: -100.117769
where:
bonds (distance) C4'-P energy: -34.339
bonds (distance) P-C4' energy: -33.572
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -24.647
tors. eta vs tors. theta energy: 12.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -554.827818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.827818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.827818 (E_RNA)
where:
Base-Base interactions energy: -364.973
where: short stacking energy: -160.675
Base-Backbone interact. energy: -0.151
local terms energy: -189.703263
where:
bonds (distance) C4'-P energy: -39.887
bonds (distance) P-C4' energy: -38.436
flat angles C4'-P-C4' energy: -37.829
flat angles P-C4'-P energy: -26.732
tors. eta vs tors. theta energy: -46.818
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: 6
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -491.076273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.076273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.076273 (E_RNA)
where:
Base-Base interactions energy: -327.196
where: short stacking energy: -153.910
Base-Backbone interact. energy: -1.208
local terms energy: -162.672257
where:
bonds (distance) C4'-P energy: -24.326
bonds (distance) P-C4' energy: -33.816
flat angles C4'-P-C4' energy: -35.619
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -43.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -461.172635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.172635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.172635 (E_RNA)
where:
Base-Base interactions energy: -298.663
where: short stacking energy: -134.799
Base-Backbone interact. energy: -0.463
local terms energy: -162.046602
where:
bonds (distance) C4'-P energy: -32.468
bonds (distance) P-C4' energy: -37.564
flat angles C4'-P-C4' energy: -30.474
flat angles P-C4'-P energy: -22.251
tors. eta vs tors. theta energy: -39.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -400.901867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.901867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.901867 (E_RNA)
where:
Base-Base interactions energy: -250.543
where: short stacking energy: -113.423
Base-Backbone interact. energy: 0.680
local terms energy: -151.039346
where:
bonds (distance) C4'-P energy: -26.828
bonds (distance) P-C4' energy: -37.551
flat angles C4'-P-C4' energy: -28.033
flat angles P-C4'-P energy: -26.331
tors. eta vs tors. theta energy: -32.297
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: 8
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -381.658619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.658619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.658619 (E_RNA)
where:
Base-Base interactions energy: -239.901
where: short stacking energy: -105.967
Base-Backbone interact. energy: 0.204
local terms energy: -141.962178
where:
bonds (distance) C4'-P energy: -32.533
bonds (distance) P-C4' energy: -27.325
flat angles C4'-P-C4' energy: -37.116
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -26.494
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: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -278.666053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.666053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.666053 (E_RNA)
where:
Base-Base interactions energy: -155.849
where: short stacking energy: -66.166
Base-Backbone interact. energy: 0.998
local terms energy: -123.815152
where:
bonds (distance) C4'-P energy: -26.411
bonds (distance) P-C4' energy: -39.746
flat angles C4'-P-C4' energy: -32.366
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -9.486
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: 2
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -220.005652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.005652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.005652 (E_RNA)
where:
Base-Base interactions energy: -107.141
where: short stacking energy: -68.061
Base-Backbone interact. energy: -1.102
local terms energy: -111.762903
where:
bonds (distance) C4'-P energy: -28.323
bonds (distance) P-C4' energy: -33.752
flat angles C4'-P-C4' energy: -30.994
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -184.602101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.602101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.602101 (E_RNA)
where:
Base-Base interactions energy: -75.845
where: short stacking energy: -45.773
Base-Backbone interact. energy: -0.547
local terms energy: -108.210524
where:
bonds (distance) C4'-P energy: -25.740
bonds (distance) P-C4' energy: -37.063
flat angles C4'-P-C4' energy: -26.565
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -158.310929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.310929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.310929 (E_RNA)
where:
Base-Base interactions energy: -63.040
where: short stacking energy: -47.191
Base-Backbone interact. energy: 0.549
local terms energy: -95.819837
where:
bonds (distance) C4'-P energy: -24.768
bonds (distance) P-C4' energy: -37.302
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -19.264
tors. eta vs tors. theta energy: 2.884
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: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -146.456290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.456290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.456290 (E_RNA)
where:
Base-Base interactions energy: -54.924
where: short stacking energy: -50.624
Base-Backbone interact. energy: 0.320
local terms energy: -91.852754
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -25.713
flat angles C4'-P-C4' energy: -29.488
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -2.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -539.030181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.030181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.030181 (E_RNA)
where:
Base-Base interactions energy: -364.037
where: short stacking energy: -150.261
Base-Backbone interact. energy: -0.382
local terms energy: -174.611017
where:
bonds (distance) C4'-P energy: -30.870
bonds (distance) P-C4' energy: -39.741
flat angles C4'-P-C4' energy: -39.601
flat angles P-C4'-P energy: -25.586
tors. eta vs tors. theta energy: -38.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -502.718720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.718720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.718720 (E_RNA)
where:
Base-Base interactions energy: -321.353
where: short stacking energy: -158.351
Base-Backbone interact. energy: -0.360
local terms energy: -181.005757
where:
bonds (distance) C4'-P energy: -32.006
bonds (distance) P-C4' energy: -33.275
flat angles C4'-P-C4' energy: -38.655
flat angles P-C4'-P energy: -28.048
tors. eta vs tors. theta energy: -49.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -466.381743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.381743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.381743 (E_RNA)
where:
Base-Base interactions energy: -302.906
where: short stacking energy: -133.767
Base-Backbone interact. energy: 0.060
local terms energy: -163.535794
where:
bonds (distance) C4'-P energy: -32.313
bonds (distance) P-C4' energy: -33.209
flat angles C4'-P-C4' energy: -36.565
flat angles P-C4'-P energy: -24.874
tors. eta vs tors. theta energy: -36.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -431.985960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.985960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.985960 (E_RNA)
where:
Base-Base interactions energy: -256.885
where: short stacking energy: -122.040
Base-Backbone interact. energy: -0.330
local terms energy: -174.770940
where:
bonds (distance) C4'-P energy: -42.326
bonds (distance) P-C4' energy: -38.729
flat angles C4'-P-C4' energy: -32.314
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: -39.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -413.380041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.380041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.380041 (E_RNA)
where:
Base-Base interactions energy: -260.347
where: short stacking energy: -111.919
Base-Backbone interact. energy: -0.260
local terms energy: -152.772212
where:
bonds (distance) C4'-P energy: -34.042
bonds (distance) P-C4' energy: -33.971
flat angles C4'-P-C4' energy: -26.147
flat angles P-C4'-P energy: -29.233
tors. eta vs tors. theta energy: -29.379
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: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -314.092279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.092279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.092279 (E_RNA)
where:
Base-Base interactions energy: -175.304
where: short stacking energy: -84.530
Base-Backbone interact. energy: -0.668
local terms energy: -138.120747
where:
bonds (distance) C4'-P energy: -34.063
bonds (distance) P-C4' energy: -29.315
flat angles C4'-P-C4' energy: -27.792
flat angles P-C4'-P energy: -29.511
tors. eta vs tors. theta energy: -17.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -212.888598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.888598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.888598 (E_RNA)
where:
Base-Base interactions energy: -91.870
where: short stacking energy: -53.144
Base-Backbone interact. energy: -0.314
local terms energy: -120.704289
where:
bonds (distance) C4'-P energy: -34.065
bonds (distance) P-C4' energy: -38.616
flat angles C4'-P-C4' energy: -28.170
flat angles P-C4'-P energy: -18.212
tors. eta vs tors. theta energy: -1.641
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: 9
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -165.870034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.870034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.870034 (E_RNA)
where:
Base-Base interactions energy: -61.059
where: short stacking energy: -36.467
Base-Backbone interact. energy: -0.628
local terms energy: -104.183575
where:
bonds (distance) C4'-P energy: -33.935
bonds (distance) P-C4' energy: -32.927
flat angles C4'-P-C4' energy: -29.934
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: 13.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -156.772722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.772722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.772722 (E_RNA)
where:
Base-Base interactions energy: -64.220
where: short stacking energy: -39.116
Base-Backbone interact. energy: -0.871
local terms energy: -91.681468
where:
bonds (distance) C4'-P energy: -27.028
bonds (distance) P-C4' energy: -34.801
flat angles C4'-P-C4' energy: -32.230
flat angles P-C4'-P energy: -3.460
tors. eta vs tors. theta energy: 5.837
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: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -152.106756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.106756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.106756 (E_RNA)
where:
Base-Base interactions energy: -59.952
where: short stacking energy: -43.334
Base-Backbone interact. energy: -0.408
local terms energy: -91.746033
where:
bonds (distance) C4'-P energy: -27.208
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -23.811
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -3.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -518.812524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.812524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.812524 (E_RNA)
where:
Base-Base interactions energy: -334.175
where: short stacking energy: -147.992
Base-Backbone interact. energy: -0.606
local terms energy: -184.031479
where:
bonds (distance) C4'-P energy: -34.643
bonds (distance) P-C4' energy: -32.621
flat angles C4'-P-C4' energy: -41.334
flat angles P-C4'-P energy: -25.446
tors. eta vs tors. theta energy: -49.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -519.239292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.239292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.239292 (E_RNA)
where:
Base-Base interactions energy: -340.333
where: short stacking energy: -161.975
Base-Backbone interact. energy: -0.351
local terms energy: -178.555071
where:
bonds (distance) C4'-P energy: -34.146
bonds (distance) P-C4' energy: -28.341
flat angles C4'-P-C4' energy: -39.793
flat angles P-C4'-P energy: -27.697
tors. eta vs tors. theta energy: -48.578
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: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -460.479250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.479250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.479250 (E_RNA)
where:
Base-Base interactions energy: -292.538
where: short stacking energy: -123.217
Base-Backbone interact. energy: -0.460
local terms energy: -167.480601
where:
bonds (distance) C4'-P energy: -39.846
bonds (distance) P-C4' energy: -27.564
flat angles C4'-P-C4' energy: -33.065
flat angles P-C4'-P energy: -27.544
tors. eta vs tors. theta energy: -39.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -435.374149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.374149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.374149 (E_RNA)
where:
Base-Base interactions energy: -266.609
where: short stacking energy: -137.903
Base-Backbone interact. energy: -0.532
local terms energy: -168.233454
where:
bonds (distance) C4'-P energy: -33.127
bonds (distance) P-C4' energy: -36.308
flat angles C4'-P-C4' energy: -30.608
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -45.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -414.528589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.528589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.528589 (E_RNA)
where:
Base-Base interactions energy: -255.875
where: short stacking energy: -110.243
Base-Backbone interact. energy: -0.665
local terms energy: -157.988927
where:
bonds (distance) C4'-P energy: -38.919
bonds (distance) P-C4' energy: -26.697
flat angles C4'-P-C4' energy: -38.749
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: -30.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -355.067692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.067692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.067692 (E_RNA)
where:
Base-Base interactions energy: -224.668
where: short stacking energy: -91.720
Base-Backbone interact. energy: -1.929
local terms energy: -128.470305
where:
bonds (distance) C4'-P energy: -31.272
bonds (distance) P-C4' energy: -29.057
flat angles C4'-P-C4' energy: -29.013
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -197.798879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.798879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.798879 (E_RNA)
where:
Base-Base interactions energy: -84.920
where: short stacking energy: -65.834
Base-Backbone interact. energy: -0.236
local terms energy: -112.643065
where:
bonds (distance) C4'-P energy: -25.211
bonds (distance) P-C4' energy: -36.816
flat angles C4'-P-C4' energy: -22.668
flat angles P-C4'-P energy: -23.570
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -152.810604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.810604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.810604 (E_RNA)
where:
Base-Base interactions energy: -54.014
where: short stacking energy: -44.826
Base-Backbone interact. energy: -0.264
local terms energy: -98.532565
where:
bonds (distance) C4'-P energy: -28.611
bonds (distance) P-C4' energy: -33.356
flat angles C4'-P-C4' energy: -28.637
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: 9.244
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: 5
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -181.946771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.946771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.946771 (E_RNA)
where:
Base-Base interactions energy: -68.063
where: short stacking energy: -48.726
Base-Backbone interact. energy: 0.159
local terms energy: -114.043068
where:
bonds (distance) C4'-P energy: -34.000
bonds (distance) P-C4' energy: -31.935
flat angles C4'-P-C4' energy: -26.467
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -3.062
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: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -150.970615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.970615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.970615 (E_RNA)
where:
Base-Base interactions energy: -56.688
where: short stacking energy: -48.658
Base-Backbone interact. energy: -0.723
local terms energy: -93.559625
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -37.643
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -10.996
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: 1, replica: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -531.405554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.405554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.405554 (E_RNA)
where:
Base-Base interactions energy: -347.407
where: short stacking energy: -160.932
Base-Backbone interact. energy: -0.218
local terms energy: -183.780072
where:
bonds (distance) C4'-P energy: -38.233
bonds (distance) P-C4' energy: -34.642
flat angles C4'-P-C4' energy: -38.541
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: -49.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -481.050199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.050199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.050199 (E_RNA)
where:
Base-Base interactions energy: -323.848
where: short stacking energy: -132.282
Base-Backbone interact. energy: -0.023
local terms energy: -157.179206
where:
bonds (distance) C4'-P energy: -29.504
bonds (distance) P-C4' energy: -37.083
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -20.041
tors. eta vs tors. theta energy: -39.084
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: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -516.184426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.184426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.184426 (E_RNA)
where:
Base-Base interactions energy: -327.853
where: short stacking energy: -159.074
Base-Backbone interact. energy: -0.261
local terms energy: -188.070011
where:
bonds (distance) C4'-P energy: -32.639
bonds (distance) P-C4' energy: -31.386
flat angles C4'-P-C4' energy: -37.044
flat angles P-C4'-P energy: -33.521
tors. eta vs tors. theta energy: -53.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -419.964144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.964144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.964144 (E_RNA)
where:
Base-Base interactions energy: -272.908
where: short stacking energy: -107.406
Base-Backbone interact. energy: -0.497
local terms energy: -146.559877
where:
bonds (distance) C4'-P energy: -36.901
bonds (distance) P-C4' energy: -33.425
flat angles C4'-P-C4' energy: -30.640
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -30.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -401.589329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.589329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.589329 (E_RNA)
where:
Base-Base interactions energy: -246.323
where: short stacking energy: -120.219
Base-Backbone interact. energy: -0.243
local terms energy: -155.023308
where:
bonds (distance) C4'-P energy: -36.187
bonds (distance) P-C4' energy: -35.050
flat angles C4'-P-C4' energy: -29.622
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -34.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -375.335680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.335680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.335680 (E_RNA)
where:
Base-Base interactions energy: -227.548
where: short stacking energy: -85.384
Base-Backbone interact. energy: -1.044
local terms energy: -146.744168
where:
bonds (distance) C4'-P energy: -26.908
bonds (distance) P-C4' energy: -38.709
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -200.816991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.816991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.816991 (E_RNA)
where:
Base-Base interactions energy: -85.586
where: short stacking energy: -55.306
Base-Backbone interact. energy: -1.266
local terms energy: -113.965306
where:
bonds (distance) C4'-P energy: -32.366
bonds (distance) P-C4' energy: -33.019
flat angles C4'-P-C4' energy: -29.381
flat angles P-C4'-P energy: -21.505
tors. eta vs tors. theta energy: 2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -174.854948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.854948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.854948 (E_RNA)
where:
Base-Base interactions energy: -90.841
where: short stacking energy: -54.504
Base-Backbone interact. energy: 1.233
local terms energy: -85.247370
where:
bonds (distance) C4'-P energy: -27.562
bonds (distance) P-C4' energy: -27.506
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: 2.709
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: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -147.955673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.955673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.955673 (E_RNA)
where:
Base-Base interactions energy: -52.373
where: short stacking energy: -40.075
Base-Backbone interact. energy: 0.189
local terms energy: -95.772145
where:
bonds (distance) C4'-P energy: -29.931
bonds (distance) P-C4' energy: -29.231
flat angles C4'-P-C4' energy: -26.074
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: 4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -148.623368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.623368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.623368 (E_RNA)
where:
Base-Base interactions energy: -54.743
where: short stacking energy: -41.442
Base-Backbone interact. energy: -0.502
local terms energy: -93.378013
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -33.167
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -18.839
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: 1, replica: 6
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -534.901168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.901168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.901168 (E_RNA)
where:
Base-Base interactions energy: -341.755
where: short stacking energy: -160.045
Base-Backbone interact. energy: -0.469
local terms energy: -192.676887
where:
bonds (distance) C4'-P energy: -34.834
bonds (distance) P-C4' energy: -38.038
flat angles C4'-P-C4' energy: -39.746
flat angles P-C4'-P energy: -26.958
tors. eta vs tors. theta energy: -53.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -491.810589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.810589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.810589 (E_RNA)
where:
Base-Base interactions energy: -328.197
where: short stacking energy: -133.223
Base-Backbone interact. energy: -0.327
local terms energy: -163.287051
where:
bonds (distance) C4'-P energy: -34.847
bonds (distance) P-C4' energy: -30.259
flat angles C4'-P-C4' energy: -35.736
flat angles P-C4'-P energy: -26.250
tors. eta vs tors. theta energy: -36.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -513.065061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.065061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.065061 (E_RNA)
where:
Base-Base interactions energy: -324.221
where: short stacking energy: -162.309
Base-Backbone interact. energy: -0.405
local terms energy: -188.438150
where:
bonds (distance) C4'-P energy: -31.611
bonds (distance) P-C4' energy: -34.161
flat angles C4'-P-C4' energy: -41.318
flat angles P-C4'-P energy: -23.696
tors. eta vs tors. theta energy: -57.652
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: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -424.167369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.167369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.167369 (E_RNA)
where:
Base-Base interactions energy: -266.769
where: short stacking energy: -107.930
Base-Backbone interact. energy: -0.532
local terms energy: -156.866770
where:
bonds (distance) C4'-P energy: -37.476
bonds (distance) P-C4' energy: -34.915
flat angles C4'-P-C4' energy: -32.825
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: -25.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -404.799477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.799477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.799477 (E_RNA)
where:
Base-Base interactions energy: -248.905
where: short stacking energy: -104.272
Base-Backbone interact. energy: 0.955
local terms energy: -156.850092
where:
bonds (distance) C4'-P energy: -27.965
bonds (distance) P-C4' energy: -31.532
flat angles C4'-P-C4' energy: -38.718
flat angles P-C4'-P energy: -24.744
tors. eta vs tors. theta energy: -33.890
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: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -323.645935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.645935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.645935 (E_RNA)
where:
Base-Base interactions energy: -198.352
where: short stacking energy: -77.363
Base-Backbone interact. energy: -0.382
local terms energy: -124.911802
where:
bonds (distance) C4'-P energy: -33.456
bonds (distance) P-C4' energy: -32.498
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -198.909013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.909013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.909013 (E_RNA)
where:
Base-Base interactions energy: -86.614
where: short stacking energy: -53.199
Base-Backbone interact. energy: -0.338
local terms energy: -111.956621
where:
bonds (distance) C4'-P energy: -28.028
bonds (distance) P-C4' energy: -35.222
flat angles C4'-P-C4' energy: -27.518
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -6.987
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: 8, replica: 2
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -184.458903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.458903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.458903 (E_RNA)
where:
Base-Base interactions energy: -73.029
where: short stacking energy: -58.059
Base-Backbone interact. energy: -0.520
local terms energy: -110.910104
where:
bonds (distance) C4'-P energy: -26.181
bonds (distance) P-C4' energy: -31.456
flat angles C4'-P-C4' energy: -31.650
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -167.635975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.635975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.635975 (E_RNA)
where:
Base-Base interactions energy: -52.713
where: short stacking energy: -36.101
Base-Backbone interact. energy: -0.686
local terms energy: -114.237097
where:
bonds (distance) C4'-P energy: -32.322
bonds (distance) P-C4' energy: -37.160
flat angles C4'-P-C4' energy: -26.849
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: 0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -144.603965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.603965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.603965 (E_RNA)
where:
Base-Base interactions energy: -46.701
where: short stacking energy: -35.042
Base-Backbone interact. energy: -0.370
local terms energy: -97.532630
where:
bonds (distance) C4'-P energy: -27.819
bonds (distance) P-C4' energy: -32.001
flat angles C4'-P-C4' energy: -26.595
flat angles P-C4'-P energy: -17.999
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: 1, replica: 6
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -528.541120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.541120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.541120 (E_RNA)
where:
Base-Base interactions energy: -344.333
where: short stacking energy: -163.040
Base-Backbone interact. energy: -0.941
local terms energy: -183.266771
where:
bonds (distance) C4'-P energy: -34.016
bonds (distance) P-C4' energy: -31.666
flat angles C4'-P-C4' energy: -40.559
flat angles P-C4'-P energy: -28.429
tors. eta vs tors. theta energy: -48.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -523.601438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.601438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.601438 (E_RNA)
where:
Base-Base interactions energy: -335.585
where: short stacking energy: -165.476
Base-Backbone interact. energy: -0.173
local terms energy: -187.842680
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -32.570
flat angles C4'-P-C4' energy: -38.406
flat angles P-C4'-P energy: -27.805
tors. eta vs tors. theta energy: -57.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -461.765693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.765693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.765693 (E_RNA)
where:
Base-Base interactions energy: -287.608
where: short stacking energy: -122.729
Base-Backbone interact. energy: -0.275
local terms energy: -173.883267
where:
bonds (distance) C4'-P energy: -37.780
bonds (distance) P-C4' energy: -37.619
flat angles C4'-P-C4' energy: -36.463
flat angles P-C4'-P energy: -25.430
tors. eta vs tors. theta energy: -36.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -437.703454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.703454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.703454 (E_RNA)
where:
Base-Base interactions energy: -286.211
where: short stacking energy: -124.035
Base-Backbone interact. energy: -0.272
local terms energy: -151.220589
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -28.929
flat angles C4'-P-C4' energy: -30.863
flat angles P-C4'-P energy: -29.360
tors. eta vs tors. theta energy: -30.913
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: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -401.488172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.488172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.488172 (E_RNA)
where:
Base-Base interactions energy: -243.911
where: short stacking energy: -117.263
Base-Backbone interact. energy: -0.120
local terms energy: -157.457053
where:
bonds (distance) C4'-P energy: -34.086
bonds (distance) P-C4' energy: -31.491
flat angles C4'-P-C4' energy: -33.976
flat angles P-C4'-P energy: -24.813
tors. eta vs tors. theta energy: -33.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -312.871964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.871964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.871964 (E_RNA)
where:
Base-Base interactions energy: -176.046
where: short stacking energy: -89.065
Base-Backbone interact. energy: -1.760
local terms energy: -135.065774
where:
bonds (distance) C4'-P energy: -32.673
bonds (distance) P-C4' energy: -32.324
flat angles C4'-P-C4' energy: -33.773
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -20.935
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: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -210.102470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.102470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.102470 (E_RNA)
where:
Base-Base interactions energy: -99.059
where: short stacking energy: -61.631
Base-Backbone interact. energy: -0.817
local terms energy: -110.226913
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -24.867
flat angles C4'-P-C4' energy: -28.650
flat angles P-C4'-P energy: -21.171
tors. eta vs tors. theta energy: -8.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -162.960836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.960836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.960836 (E_RNA)
where:
Base-Base interactions energy: -66.018
where: short stacking energy: -66.018
Base-Backbone interact. energy: -0.339
local terms energy: -96.603478
where:
bonds (distance) C4'-P energy: -26.471
bonds (distance) P-C4' energy: -27.275
flat angles C4'-P-C4' energy: -27.262
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -176.661805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.661805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.661805 (E_RNA)
where:
Base-Base interactions energy: -70.369
where: short stacking energy: -67.125
Base-Backbone interact. energy: -0.183
local terms energy: -106.109209
where:
bonds (distance) C4'-P energy: -27.877
bonds (distance) P-C4' energy: -27.651
flat angles C4'-P-C4' energy: -30.883
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -155.734598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.734598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.734598 (E_RNA)
where:
Base-Base interactions energy: -56.021
where: short stacking energy: -51.308
Base-Backbone interact. energy: -0.613
local terms energy: -99.100790
where:
bonds (distance) C4'-P energy: -28.459
bonds (distance) P-C4' energy: -29.547
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -16.810
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -538.034141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.034141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.034141 (E_RNA)
where:
Base-Base interactions energy: -342.962
where: short stacking energy: -161.542
Base-Backbone interact. energy: -1.610
local terms energy: -193.462502
where:
bonds (distance) C4'-P energy: -40.222
bonds (distance) P-C4' energy: -39.702
flat angles C4'-P-C4' energy: -34.207
flat angles P-C4'-P energy: -26.444
tors. eta vs tors. theta energy: -52.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -513.198245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.198245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.198245 (E_RNA)
where:
Base-Base interactions energy: -327.646
where: short stacking energy: -154.361
Base-Backbone interact. energy: -0.297
local terms energy: -185.255522
where:
bonds (distance) C4'-P energy: -36.157
bonds (distance) P-C4' energy: -33.932
flat angles C4'-P-C4' energy: -37.018
flat angles P-C4'-P energy: -27.915
tors. eta vs tors. theta energy: -50.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -467.151729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.151729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.151729 (E_RNA)
where:
Base-Base interactions energy: -304.615
where: short stacking energy: -118.340
Base-Backbone interact. energy: -0.710
local terms energy: -161.827183
where:
bonds (distance) C4'-P energy: -32.420
bonds (distance) P-C4' energy: -36.351
flat angles C4'-P-C4' energy: -33.671
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -34.499
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: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -451.942538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.942538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.942538 (E_RNA)
where:
Base-Base interactions energy: -296.179
where: short stacking energy: -122.889
Base-Backbone interact. energy: -1.112
local terms energy: -154.651634
where:
bonds (distance) C4'-P energy: -30.986
bonds (distance) P-C4' energy: -33.696
flat angles C4'-P-C4' energy: -34.432
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -39.242
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: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -380.427707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.427707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.427707 (E_RNA)
where:
Base-Base interactions energy: -240.059
where: short stacking energy: -110.694
Base-Backbone interact. energy: 5.713
local terms energy: -146.081761
where:
bonds (distance) C4'-P energy: -29.535
bonds (distance) P-C4' energy: -32.758
flat angles C4'-P-C4' energy: -33.075
flat angles P-C4'-P energy: -23.172
tors. eta vs tors. theta energy: -27.542
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: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -343.819955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.819955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.819955 (E_RNA)
where:
Base-Base interactions energy: -208.610
where: short stacking energy: -111.281
Base-Backbone interact. energy: -1.559
local terms energy: -133.651294
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -28.236
flat angles C4'-P-C4' energy: -30.626
flat angles P-C4'-P energy: -18.865
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: 7, replica: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -209.835928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.835928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.835928 (E_RNA)
where:
Base-Base interactions energy: -90.466
where: short stacking energy: -51.222
Base-Backbone interact. energy: 0.250
local terms energy: -119.619471
where:
bonds (distance) C4'-P energy: -23.276
bonds (distance) P-C4' energy: -34.631
flat angles C4'-P-C4' energy: -33.217
flat angles P-C4'-P energy: -25.113
tors. eta vs tors. theta energy: -3.381
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: 7
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -187.410990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.410990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.410990 (E_RNA)
where:
Base-Base interactions energy: -82.573
where: short stacking energy: -53.050
Base-Backbone interact. energy: 0.309
local terms energy: -105.147747
where:
bonds (distance) C4'-P energy: -25.791
bonds (distance) P-C4' energy: -28.360
flat angles C4'-P-C4' energy: -33.522
flat angles P-C4'-P energy: -17.970
tors. eta vs tors. theta energy: 0.495
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: 5
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -159.247658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.247658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.247658 (E_RNA)
where:
Base-Base interactions energy: -57.026
where: short stacking energy: -43.800
Base-Backbone interact. energy: -0.841
local terms energy: -101.380108
where:
bonds (distance) C4'-P energy: -29.435
bonds (distance) P-C4' energy: -33.192
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -4.865
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: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -170.211642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.211642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.211642 (E_RNA)
where:
Base-Base interactions energy: -62.686
where: short stacking energy: -35.903
Base-Backbone interact. energy: -0.856
local terms energy: -106.669640
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -33.718
flat angles C4'-P-C4' energy: -31.013
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -522.988370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.988370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.988370 (E_RNA)
where:
Base-Base interactions energy: -343.950
where: short stacking energy: -151.418
Base-Backbone interact. energy: -0.608
local terms energy: -178.430605
where:
bonds (distance) C4'-P energy: -36.372
bonds (distance) P-C4' energy: -30.241
flat angles C4'-P-C4' energy: -32.023
flat angles P-C4'-P energy: -27.884
tors. eta vs tors. theta energy: -51.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -493.643618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.643618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.643618 (E_RNA)
where:
Base-Base interactions energy: -314.051
where: short stacking energy: -140.914
Base-Backbone interact. energy: -0.272
local terms energy: -179.321315
where:
bonds (distance) C4'-P energy: -36.070
bonds (distance) P-C4' energy: -36.898
flat angles C4'-P-C4' energy: -37.233
flat angles P-C4'-P energy: -25.476
tors. eta vs tors. theta energy: -43.644
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: 3, replica: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -493.958840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.958840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.958840 (E_RNA)
where:
Base-Base interactions energy: -332.950
where: short stacking energy: -137.607
Base-Backbone interact. energy: -0.361
local terms energy: -160.647747
where:
bonds (distance) C4'-P energy: -29.887
bonds (distance) P-C4' energy: -28.233
flat angles C4'-P-C4' energy: -37.213
flat angles P-C4'-P energy: -30.156
tors. eta vs tors. theta energy: -35.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -451.453191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.453191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.453191 (E_RNA)
where:
Base-Base interactions energy: -292.284
where: short stacking energy: -116.224
Base-Backbone interact. energy: -1.060
local terms energy: -158.109088
where:
bonds (distance) C4'-P energy: -32.533
bonds (distance) P-C4' energy: -34.351
flat angles C4'-P-C4' energy: -34.022
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -36.779
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: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -416.313571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.313571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.313571 (E_RNA)
where:
Base-Base interactions energy: -259.991
where: short stacking energy: -116.884
Base-Backbone interact. energy: -0.531
local terms energy: -155.791330
where:
bonds (distance) C4'-P energy: -32.005
bonds (distance) P-C4' energy: -32.830
flat angles C4'-P-C4' energy: -38.029
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -35.699
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: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -309.867662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.867662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.867662 (E_RNA)
where:
Base-Base interactions energy: -175.425
where: short stacking energy: -78.885
Base-Backbone interact. energy: -0.777
local terms energy: -133.666192
where:
bonds (distance) C4'-P energy: -26.096
bonds (distance) P-C4' energy: -36.638
flat angles C4'-P-C4' energy: -27.029
flat angles P-C4'-P energy: -22.359
tors. eta vs tors. theta energy: -21.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -183.587260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.587260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.587260 (E_RNA)
where:
Base-Base interactions energy: -88.063
where: short stacking energy: -47.661
Base-Backbone interact. energy: 0.445
local terms energy: -95.969321
where:
bonds (distance) C4'-P energy: -32.933
bonds (distance) P-C4' energy: -30.700
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -2.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -173.385206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.385206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.385206 (E_RNA)
where:
Base-Base interactions energy: -69.951
where: short stacking energy: -39.426
Base-Backbone interact. energy: -0.382
local terms energy: -103.052739
where:
bonds (distance) C4'-P energy: -29.268
bonds (distance) P-C4' energy: -34.073
flat angles C4'-P-C4' energy: -28.325
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: 6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -162.823750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.823750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.823750 (E_RNA)
where:
Base-Base interactions energy: -68.729
where: short stacking energy: -63.334
Base-Backbone interact. energy: 0.115
local terms energy: -94.209879
where:
bonds (distance) C4'-P energy: -24.861
bonds (distance) P-C4' energy: -27.149
flat angles C4'-P-C4' energy: -27.859
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -1.302
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: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -138.992936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.992936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.992936 (E_RNA)
where:
Base-Base interactions energy: -42.187
where: short stacking energy: -40.991
Base-Backbone interact. energy: -0.846
local terms energy: -95.959708
where:
bonds (distance) C4'-P energy: -27.692
bonds (distance) P-C4' energy: -30.416
flat angles C4'-P-C4' energy: -32.710
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: 4.967
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: 1, replica: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -525.566169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.566169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.566169 (E_RNA)
where:
Base-Base interactions energy: -344.993
where: short stacking energy: -151.843
Base-Backbone interact. energy: -0.897
local terms energy: -179.675472
where:
bonds (distance) C4'-P energy: -32.695
bonds (distance) P-C4' energy: -37.332
flat angles C4'-P-C4' energy: -38.633
flat angles P-C4'-P energy: -23.369
tors. eta vs tors. theta energy: -47.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -511.788021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.788021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.788021 (E_RNA)
where:
Base-Base interactions energy: -345.154
where: short stacking energy: -160.890
Base-Backbone interact. energy: -0.753
local terms energy: -165.881740
where:
bonds (distance) C4'-P energy: -27.778
bonds (distance) P-C4' energy: -36.637
flat angles C4'-P-C4' energy: -33.544
flat angles P-C4'-P energy: -24.388
tors. eta vs tors. theta energy: -43.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -472.477387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.477387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.477387 (E_RNA)
where:
Base-Base interactions energy: -314.188
where: short stacking energy: -130.868
Base-Backbone interact. energy: -1.124
local terms energy: -157.165435
where:
bonds (distance) C4'-P energy: -31.147
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -31.361
flat angles P-C4'-P energy: -29.118
tors. eta vs tors. theta energy: -32.438
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: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -412.236754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.236754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.236754 (E_RNA)
where:
Base-Base interactions energy: -262.840
where: short stacking energy: -105.948
Base-Backbone interact. energy: 1.326
local terms energy: -150.722406
where:
bonds (distance) C4'-P energy: -26.121
bonds (distance) P-C4' energy: -30.674
flat angles C4'-P-C4' energy: -32.545
flat angles P-C4'-P energy: -28.454
tors. eta vs tors. theta energy: -32.929
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: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -416.893301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.893301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.893301 (E_RNA)
where:
Base-Base interactions energy: -265.515
where: short stacking energy: -124.364
Base-Backbone interact. energy: -2.999
local terms energy: -148.379671
where:
bonds (distance) C4'-P energy: -25.917
bonds (distance) P-C4' energy: -28.494
flat angles C4'-P-C4' energy: -33.893
flat angles P-C4'-P energy: -23.571
tors. eta vs tors. theta energy: -36.505
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: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -317.328700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.328700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.328700 (E_RNA)
where:
Base-Base interactions energy: -187.487
where: short stacking energy: -91.955
Base-Backbone interact. energy: -0.479
local terms energy: -129.362466
where:
bonds (distance) C4'-P energy: -37.527
bonds (distance) P-C4' energy: -20.841
flat angles C4'-P-C4' energy: -31.562
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: -21.721
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: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -198.014414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.014414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.014414 (E_RNA)
where:
Base-Base interactions energy: -87.812
where: short stacking energy: -44.903
Base-Backbone interact. energy: 3.486
local terms energy: -113.688625
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -37.529
flat angles C4'-P-C4' energy: -30.288
flat angles P-C4'-P energy: -17.396
tors. eta vs tors. theta energy: 1.705
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: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -165.165892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.165892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.165892 (E_RNA)
where:
Base-Base interactions energy: -64.400
where: short stacking energy: -55.033
Base-Backbone interact. energy: 1.713
local terms energy: -102.478385
where:
bonds (distance) C4'-P energy: -29.540
bonds (distance) P-C4' energy: -25.070
flat angles C4'-P-C4' energy: -27.459
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -151.872895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.872895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.872895 (E_RNA)
where:
Base-Base interactions energy: -35.062
where: short stacking energy: -35.062
Base-Backbone interact. energy: -0.267
local terms energy: -116.544300
where:
bonds (distance) C4'-P energy: -36.604
bonds (distance) P-C4' energy: -29.846
flat angles C4'-P-C4' energy: -33.128
flat angles P-C4'-P energy: -22.321
tors. eta vs tors. theta energy: 5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -146.121370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.121370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.121370 (E_RNA)
where:
Base-Base interactions energy: -64.964
where: short stacking energy: -38.148
Base-Backbone interact. energy: 1.395
local terms energy: -82.552371
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -34.421
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: 7.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -525.110875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.110875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.110875 (E_RNA)
where:
Base-Base interactions energy: -341.687
where: short stacking energy: -154.497
Base-Backbone interact. energy: -1.369
local terms energy: -182.054457
where:
bonds (distance) C4'-P energy: -36.268
bonds (distance) P-C4' energy: -32.312
flat angles C4'-P-C4' energy: -38.750
flat angles P-C4'-P energy: -23.319
tors. eta vs tors. theta energy: -51.404
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: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -538.228624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.228624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.228624 (E_RNA)
where:
Base-Base interactions energy: -362.054
where: short stacking energy: -158.886
Base-Backbone interact. energy: -0.313
local terms energy: -175.861449
where:
bonds (distance) C4'-P energy: -34.447
bonds (distance) P-C4' energy: -36.300
flat angles C4'-P-C4' energy: -34.527
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: -49.681
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: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -465.607993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.607993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.607993 (E_RNA)
where:
Base-Base interactions energy: -304.724
where: short stacking energy: -125.212
Base-Backbone interact. energy: -1.426
local terms energy: -159.457923
where:
bonds (distance) C4'-P energy: -34.778
bonds (distance) P-C4' energy: -36.318
flat angles C4'-P-C4' energy: -33.349
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -31.747
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: 4
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -457.166665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.166665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.166665 (E_RNA)
where:
Base-Base interactions energy: -300.290
where: short stacking energy: -136.713
Base-Backbone interact. energy: -0.612
local terms energy: -156.265174
where:
bonds (distance) C4'-P energy: -30.792
bonds (distance) P-C4' energy: -35.207
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: -36.296
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: 8
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -407.186206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.186206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.186206 (E_RNA)
where:
Base-Base interactions energy: -253.245
where: short stacking energy: -106.247
Base-Backbone interact. energy: -1.873
local terms energy: -152.067611
where:
bonds (distance) C4'-P energy: -33.497
bonds (distance) P-C4' energy: -36.600
flat angles C4'-P-C4' energy: -32.535
flat angles P-C4'-P energy: -25.357
tors. eta vs tors. theta energy: -24.078
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: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -320.491586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.491586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.491586 (E_RNA)
where:
Base-Base interactions energy: -178.666
where: short stacking energy: -90.730
Base-Backbone interact. energy: 0.547
local terms energy: -142.372280
where:
bonds (distance) C4'-P energy: -30.054
bonds (distance) P-C4' energy: -35.413
flat angles C4'-P-C4' energy: -34.185
flat angles P-C4'-P energy: -21.808
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -269.753752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.753752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.753752 (E_RNA)
where:
Base-Base interactions energy: -132.689
where: short stacking energy: -67.074
Base-Backbone interact. energy: -1.470
local terms energy: -135.594982
where:
bonds (distance) C4'-P energy: -33.245
bonds (distance) P-C4' energy: -35.504
flat angles C4'-P-C4' energy: -34.078
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -170.734138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.734138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.734138 (E_RNA)
where:
Base-Base interactions energy: -50.505
where: short stacking energy: -43.599
Base-Backbone interact. energy: -1.552
local terms energy: -118.677914
where:
bonds (distance) C4'-P energy: -31.818
bonds (distance) P-C4' energy: -32.475
flat angles C4'-P-C4' energy: -22.950
flat angles P-C4'-P energy: -20.595
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -164.346161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.346161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.346161 (E_RNA)
where:
Base-Base interactions energy: -53.217
where: short stacking energy: -49.900
Base-Backbone interact. energy: 0.200
local terms energy: -111.329180
where:
bonds (distance) C4'-P energy: -37.407
bonds (distance) P-C4' energy: -23.693
flat angles C4'-P-C4' energy: -32.060
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -4.061
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: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -162.643741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.643741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.643741 (E_RNA)
where:
Base-Base interactions energy: -56.665
where: short stacking energy: -37.540
Base-Backbone interact. energy: -0.453
local terms energy: -105.525515
where:
bonds (distance) C4'-P energy: -27.602
bonds (distance) P-C4' energy: -32.729
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -20.666
tors. eta vs tors. theta energy: -6.707
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: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -519.920436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.920436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.920436 (E_RNA)
where:
Base-Base interactions energy: -349.629
where: short stacking energy: -164.066
Base-Backbone interact. energy: -0.404
local terms energy: -169.887437
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -31.557
flat angles C4'-P-C4' energy: -40.844
flat angles P-C4'-P energy: -27.527
tors. eta vs tors. theta energy: -46.470
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: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -504.697784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.697784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.697784 (E_RNA)
where:
Base-Base interactions energy: -329.520
where: short stacking energy: -156.814
Base-Backbone interact. energy: 0.137
local terms energy: -175.314757
where:
bonds (distance) C4'-P energy: -30.140
bonds (distance) P-C4' energy: -35.480
flat angles C4'-P-C4' energy: -39.307
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -48.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -508.939310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.939310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.939310 (E_RNA)
where:
Base-Base interactions energy: -343.091
where: short stacking energy: -149.358
Base-Backbone interact. energy: -0.337
local terms energy: -165.511344
where:
bonds (distance) C4'-P energy: -27.991
bonds (distance) P-C4' energy: -35.891
flat angles C4'-P-C4' energy: -37.287
flat angles P-C4'-P energy: -24.610
tors. eta vs tors. theta energy: -39.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -447.488761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.488761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.488761 (E_RNA)
where:
Base-Base interactions energy: -287.422
where: short stacking energy: -151.432
Base-Backbone interact. energy: -0.113
local terms energy: -159.953354
where:
bonds (distance) C4'-P energy: -34.636
bonds (distance) P-C4' energy: -31.779
flat angles C4'-P-C4' energy: -27.557
flat angles P-C4'-P energy: -20.832
tors. eta vs tors. theta energy: -45.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -364.517341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.517341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.517341 (E_RNA)
where:
Base-Base interactions energy: -234.070
where: short stacking energy: -86.832
Base-Backbone interact. energy: -1.107
local terms energy: -129.340393
where:
bonds (distance) C4'-P energy: -29.735
bonds (distance) P-C4' energy: -37.234
flat angles C4'-P-C4' energy: -28.317
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -13.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -333.268779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.268779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.268779 (E_RNA)
where:
Base-Base interactions energy: -197.161
where: short stacking energy: -92.184
Base-Backbone interact. energy: -0.905
local terms energy: -135.203414
where:
bonds (distance) C4'-P energy: -25.618
bonds (distance) P-C4' energy: -30.707
flat angles C4'-P-C4' energy: -32.170
flat angles P-C4'-P energy: -19.734
tors. eta vs tors. theta energy: -26.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -262.088727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.088727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.088727 (E_RNA)
where:
Base-Base interactions energy: -124.015
where: short stacking energy: -69.522
Base-Backbone interact. energy: -0.875
local terms energy: -137.198317
where:
bonds (distance) C4'-P energy: -32.038
bonds (distance) P-C4' energy: -30.315
flat angles C4'-P-C4' energy: -35.670
flat angles P-C4'-P energy: -21.143
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -171.981756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.981756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.981756 (E_RNA)
where:
Base-Base interactions energy: -84.577
where: short stacking energy: -51.088
Base-Backbone interact. energy: -1.148
local terms energy: -86.256670
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: 2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -158.146859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.146859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.146859 (E_RNA)
where:
Base-Base interactions energy: -65.929
where: short stacking energy: -48.812
Base-Backbone interact. energy: 2.820
local terms energy: -95.037462
where:
bonds (distance) C4'-P energy: -27.092
bonds (distance) P-C4' energy: -25.781
flat angles C4'-P-C4' energy: -25.727
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: 2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -155.169123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.169123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.169123 (E_RNA)
where:
Base-Base interactions energy: -53.504
where: short stacking energy: -38.006
Base-Backbone interact. energy: -0.701
local terms energy: -100.964044
where:
bonds (distance) C4'-P energy: -30.705
bonds (distance) P-C4' energy: -36.579
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: 6.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -547.558707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.558707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.558707 (E_RNA)
where:
Base-Base interactions energy: -358.852
where: short stacking energy: -173.364
Base-Backbone interact. energy: -0.109
local terms energy: -188.596983
where:
bonds (distance) C4'-P energy: -38.015
bonds (distance) P-C4' energy: -30.105
flat angles C4'-P-C4' energy: -37.119
flat angles P-C4'-P energy: -27.328
tors. eta vs tors. theta energy: -56.030
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: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -525.988917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.988917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.988917 (E_RNA)
where:
Base-Base interactions energy: -347.566
where: short stacking energy: -146.713
Base-Backbone interact. energy: -0.812
local terms energy: -177.611296
where:
bonds (distance) C4'-P energy: -36.624
bonds (distance) P-C4' energy: -39.160
flat angles C4'-P-C4' energy: -30.945
flat angles P-C4'-P energy: -26.652
tors. eta vs tors. theta energy: -44.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -490.675041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.675041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.675041 (E_RNA)
where:
Base-Base interactions energy: -326.519
where: short stacking energy: -144.609
Base-Backbone interact. energy: 0.544
local terms energy: -164.700636
where:
bonds (distance) C4'-P energy: -29.587
bonds (distance) P-C4' energy: -34.629
flat angles C4'-P-C4' energy: -32.049
flat angles P-C4'-P energy: -29.425
tors. eta vs tors. theta energy: -39.011
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: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -436.164575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.164575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.164575 (E_RNA)
where:
Base-Base interactions energy: -283.381
where: short stacking energy: -127.687
Base-Backbone interact. energy: -0.878
local terms energy: -151.905902
where:
bonds (distance) C4'-P energy: -27.213
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -31.759
flat angles P-C4'-P energy: -24.559
tors. eta vs tors. theta energy: -44.818
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: 8
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -398.490192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.490192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.490192 (E_RNA)
where:
Base-Base interactions energy: -257.881
where: short stacking energy: -118.652
Base-Backbone interact. energy: 0.102
local terms energy: -140.710750
where:
bonds (distance) C4'-P energy: -29.703
bonds (distance) P-C4' energy: -32.774
flat angles C4'-P-C4' energy: -30.266
flat angles P-C4'-P energy: -23.008
tors. eta vs tors. theta energy: -24.960
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: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -295.870411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.870411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.870411 (E_RNA)
where:
Base-Base interactions energy: -176.175
where: short stacking energy: -77.234
Base-Backbone interact. energy: -0.426
local terms energy: -119.269866
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -36.302
flat angles C4'-P-C4' energy: -32.931
flat angles P-C4'-P energy: -14.886
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: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -200.260507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.260507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.260507 (E_RNA)
where:
Base-Base interactions energy: -89.894
where: short stacking energy: -50.409
Base-Backbone interact. energy: 1.392
local terms energy: -111.758468
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -30.240
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -9.711
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: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -166.793089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.793089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.793089 (E_RNA)
where:
Base-Base interactions energy: -55.612
where: short stacking energy: -41.978
Base-Backbone interact. energy: -0.159
local terms energy: -111.022252
where:
bonds (distance) C4'-P energy: -29.819
bonds (distance) P-C4' energy: -30.147
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -22.764
tors. eta vs tors. theta energy: -6.790
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: 2
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -150.653427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.653427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.653427 (E_RNA)
where:
Base-Base interactions energy: -43.108
where: short stacking energy: -43.012
Base-Backbone interact. energy: 0.052
local terms energy: -107.597692
where:
bonds (distance) C4'-P energy: -31.547
bonds (distance) P-C4' energy: -40.342
flat angles C4'-P-C4' energy: -28.033
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: 9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -142.316486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.316486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.316486 (E_RNA)
where:
Base-Base interactions energy: -47.218
where: short stacking energy: -41.156
Base-Backbone interact. energy: 1.816
local terms energy: -96.914873
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -34.283
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -18.303
tors. eta vs tors. theta energy: 1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -549.589045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.589045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.589045 (E_RNA)
where:
Base-Base interactions energy: -361.018
where: short stacking energy: -158.172
Base-Backbone interact. energy: -0.006
local terms energy: -188.564306
where:
bonds (distance) C4'-P energy: -38.661
bonds (distance) P-C4' energy: -36.559
flat angles C4'-P-C4' energy: -36.832
flat angles P-C4'-P energy: -25.940
tors. eta vs tors. theta energy: -50.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -526.837784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.837784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.837784 (E_RNA)
where:
Base-Base interactions energy: -351.270
where: short stacking energy: -150.201
Base-Backbone interact. energy: -0.769
local terms energy: -174.799333
where:
bonds (distance) C4'-P energy: -36.686
bonds (distance) P-C4' energy: -32.481
flat angles C4'-P-C4' energy: -39.901
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -46.145
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: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -469.402755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.402755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.402755 (E_RNA)
where:
Base-Base interactions energy: -287.129
where: short stacking energy: -136.471
Base-Backbone interact. energy: -0.140
local terms energy: -182.133596
where:
bonds (distance) C4'-P energy: -33.199
bonds (distance) P-C4' energy: -35.589
flat angles C4'-P-C4' energy: -40.221
flat angles P-C4'-P energy: -27.207
tors. eta vs tors. theta energy: -45.917
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: 6
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -470.349427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.349427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.349427 (E_RNA)
where:
Base-Base interactions energy: -295.264
where: short stacking energy: -142.666
Base-Backbone interact. energy: -0.400
local terms energy: -174.685157
where:
bonds (distance) C4'-P energy: -32.125
bonds (distance) P-C4' energy: -32.509
flat angles C4'-P-C4' energy: -35.973
flat angles P-C4'-P energy: -28.773
tors. eta vs tors. theta energy: -45.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -320.711690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.711690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.711690 (E_RNA)
where:
Base-Base interactions energy: -180.999
where: short stacking energy: -73.466
Base-Backbone interact. energy: -0.369
local terms energy: -139.343782
where:
bonds (distance) C4'-P energy: -30.266
bonds (distance) P-C4' energy: -33.393
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -26.690
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -320.106835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.106835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.106835 (E_RNA)
where:
Base-Base interactions energy: -184.350
where: short stacking energy: -69.412
Base-Backbone interact. energy: -0.916
local terms energy: -134.840511
where:
bonds (distance) C4'-P energy: -27.753
bonds (distance) P-C4' energy: -32.642
flat angles C4'-P-C4' energy: -35.063
flat angles P-C4'-P energy: -24.898
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -188.651077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.651077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.651077 (E_RNA)
where:
Base-Base interactions energy: -71.440
where: short stacking energy: -52.536
Base-Backbone interact. energy: 1.272
local terms energy: -118.483663
where:
bonds (distance) C4'-P energy: -31.671
bonds (distance) P-C4' energy: -34.487
flat angles C4'-P-C4' energy: -29.056
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -1.136
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: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -179.524756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.524756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.524756 (E_RNA)
where:
Base-Base interactions energy: -66.581
where: short stacking energy: -60.426
Base-Backbone interact. energy: 0.692
local terms energy: -113.635353
where:
bonds (distance) C4'-P energy: -29.826
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -30.966
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: -8.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -166.060708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.060708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.060708 (E_RNA)
where:
Base-Base interactions energy: -52.743
where: short stacking energy: -52.743
Base-Backbone interact. energy: -0.462
local terms energy: -112.855906
where:
bonds (distance) C4'-P energy: -33.466
bonds (distance) P-C4' energy: -35.436
flat angles C4'-P-C4' energy: -25.415
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -142.439762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.439762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.439762 (E_RNA)
where:
Base-Base interactions energy: -42.108
where: short stacking energy: -41.049
Base-Backbone interact. energy: 0.262
local terms energy: -100.594161
where:
bonds (distance) C4'-P energy: -28.188
bonds (distance) P-C4' energy: -33.679
flat angles C4'-P-C4' energy: -26.993
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: 3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -553.997824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.997824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.997824 (E_RNA)
where:
Base-Base interactions energy: -361.192
where: short stacking energy: -163.015
Base-Backbone interact. energy: -0.752
local terms energy: -192.053601
where:
bonds (distance) C4'-P energy: -33.472
bonds (distance) P-C4' energy: -40.087
flat angles C4'-P-C4' energy: -44.424
flat angles P-C4'-P energy: -28.095
tors. eta vs tors. theta energy: -45.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -544.173143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.173143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.173143 (E_RNA)
where:
Base-Base interactions energy: -361.020
where: short stacking energy: -153.380
Base-Backbone interact. energy: -1.458
local terms energy: -181.695073
where:
bonds (distance) C4'-P energy: -35.102
bonds (distance) P-C4' energy: -37.331
flat angles C4'-P-C4' energy: -40.607
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -44.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -483.216177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.216177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.216177 (E_RNA)
where:
Base-Base interactions energy: -312.594
where: short stacking energy: -152.735
Base-Backbone interact. energy: -0.780
local terms energy: -169.841809
where:
bonds (distance) C4'-P energy: -29.372
bonds (distance) P-C4' energy: -33.054
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -22.546
tors. eta vs tors. theta energy: -49.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -451.992360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.992360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.992360 (E_RNA)
where:
Base-Base interactions energy: -290.450
where: short stacking energy: -121.859
Base-Backbone interact. energy: -0.112
local terms energy: -161.430104
where:
bonds (distance) C4'-P energy: -32.679
bonds (distance) P-C4' energy: -35.461
flat angles C4'-P-C4' energy: -40.844
flat angles P-C4'-P energy: -21.346
tors. eta vs tors. theta energy: -31.100
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: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -355.520999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.520999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.520999 (E_RNA)
where:
Base-Base interactions energy: -221.076
where: short stacking energy: -97.306
Base-Backbone interact. energy: -0.246
local terms energy: -134.198846
where:
bonds (distance) C4'-P energy: -30.856
bonds (distance) P-C4' energy: -31.469
flat angles C4'-P-C4' energy: -28.533
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -23.677
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: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -322.178742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.178742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.178742 (E_RNA)
where:
Base-Base interactions energy: -197.277
where: short stacking energy: -93.696
Base-Backbone interact. energy: -0.510
local terms energy: -124.391708
where:
bonds (distance) C4'-P energy: -31.345
bonds (distance) P-C4' energy: -27.002
flat angles C4'-P-C4' energy: -34.238
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -18.403
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: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -167.793169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.793169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.793169 (E_RNA)
where:
Base-Base interactions energy: -64.229
where: short stacking energy: -58.107
Base-Backbone interact. energy: 3.828
local terms energy: -107.392287
where:
bonds (distance) C4'-P energy: -31.484
bonds (distance) P-C4' energy: -31.858
flat angles C4'-P-C4' energy: -31.305
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -1.316
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: 247
Temperature: 1.250000
Total energy: -182.402017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.402017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.402017 (E_RNA)
where:
Base-Base interactions energy: -77.437
where: short stacking energy: -36.767
Base-Backbone interact. energy: 2.710
local terms energy: -107.675753
where:
bonds (distance) C4'-P energy: -29.154
bonds (distance) P-C4' energy: -37.072
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -21.833
tors. eta vs tors. theta energy: -0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -155.651034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.651034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.651034 (E_RNA)
where:
Base-Base interactions energy: -56.602
where: short stacking energy: -43.909
Base-Backbone interact. energy: -1.688
local terms energy: -97.360748
where:
bonds (distance) C4'-P energy: -35.821
bonds (distance) P-C4' energy: -27.668
flat angles C4'-P-C4' energy: -23.874
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: 5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -156.823113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.823113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.823113 (E_RNA)
where:
Base-Base interactions energy: -50.198
where: short stacking energy: -46.031
Base-Backbone interact. energy: -0.461
local terms energy: -106.163441
where:
bonds (distance) C4'-P energy: -30.324
bonds (distance) P-C4' energy: -39.347
flat angles C4'-P-C4' energy: -27.842
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -1.314
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: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -545.186828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.186828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.186828 (E_RNA)
where:
Base-Base interactions energy: -365.239
where: short stacking energy: -153.518
Base-Backbone interact. energy: -0.716
local terms energy: -179.231706
where:
bonds (distance) C4'-P energy: -33.922
bonds (distance) P-C4' energy: -36.015
flat angles C4'-P-C4' energy: -36.842
flat angles P-C4'-P energy: -26.651
tors. eta vs tors. theta energy: -45.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -526.467370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.467370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.467370 (E_RNA)
where:
Base-Base interactions energy: -342.256
where: short stacking energy: -171.386
Base-Backbone interact. energy: -0.422
local terms energy: -183.789378
where:
bonds (distance) C4'-P energy: -26.430
bonds (distance) P-C4' energy: -33.211
flat angles C4'-P-C4' energy: -39.520
flat angles P-C4'-P energy: -29.063
tors. eta vs tors. theta energy: -55.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -491.692927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.692927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.692927 (E_RNA)
where:
Base-Base interactions energy: -330.979
where: short stacking energy: -146.121
Base-Backbone interact. energy: 0.448
local terms energy: -161.162187
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -32.368
flat angles C4'-P-C4' energy: -36.901
flat angles P-C4'-P energy: -21.006
tors. eta vs tors. theta energy: -41.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -443.222834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.222834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.222834 (E_RNA)
where:
Base-Base interactions energy: -282.722
where: short stacking energy: -129.037
Base-Backbone interact. energy: -0.118
local terms energy: -160.382482
where:
bonds (distance) C4'-P energy: -31.919
bonds (distance) P-C4' energy: -31.332
flat angles C4'-P-C4' energy: -34.015
flat angles P-C4'-P energy: -24.105
tors. eta vs tors. theta energy: -39.011
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: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -371.235483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.235483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.235483 (E_RNA)
where:
Base-Base interactions energy: -217.406
where: short stacking energy: -109.922
Base-Backbone interact. energy: -0.103
local terms energy: -153.726275
where:
bonds (distance) C4'-P energy: -32.930
bonds (distance) P-C4' energy: -34.062
flat angles C4'-P-C4' energy: -33.755
flat angles P-C4'-P energy: -24.516
tors. eta vs tors. theta energy: -28.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -369.248454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.248454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.248454 (E_RNA)
where:
Base-Base interactions energy: -226.903
where: short stacking energy: -101.570
Base-Backbone interact. energy: -0.460
local terms energy: -141.886047
where:
bonds (distance) C4'-P energy: -33.846
bonds (distance) P-C4' energy: -34.714
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -23.256
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: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -177.681759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.681759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.681759 (E_RNA)
where:
Base-Base interactions energy: -62.097
where: short stacking energy: -62.047
Base-Backbone interact. energy: -0.560
local terms energy: -115.024838
where:
bonds (distance) C4'-P energy: -26.263
bonds (distance) P-C4' energy: -35.846
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -8.159
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: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -181.795974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.795974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.795974 (E_RNA)
where:
Base-Base interactions energy: -63.111
where: short stacking energy: -55.152
Base-Backbone interact. energy: -0.485
local terms energy: -118.200205
where:
bonds (distance) C4'-P energy: -24.828
bonds (distance) P-C4' energy: -37.774
flat angles C4'-P-C4' energy: -31.384
flat angles P-C4'-P energy: -22.184
tors. eta vs tors. theta energy: -2.029
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: 2
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -144.109578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.109578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.109578 (E_RNA)
where:
Base-Base interactions energy: -35.858
where: short stacking energy: -33.548
Base-Backbone interact. energy: 0.056
local terms energy: -108.307754
where:
bonds (distance) C4'-P energy: -36.819
bonds (distance) P-C4' energy: -37.943
flat angles C4'-P-C4' energy: -27.739
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: 9.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -149.974871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.974871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.974871 (E_RNA)
where:
Base-Base interactions energy: -44.453
where: short stacking energy: -35.940
Base-Backbone interact. energy: -1.281
local terms energy: -104.240595
where:
bonds (distance) C4'-P energy: -39.502
bonds (distance) P-C4' energy: -36.302
flat angles C4'-P-C4' energy: -25.338
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: 4.229
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: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -539.019392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.019392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.019392 (E_RNA)
where:
Base-Base interactions energy: -372.851
where: short stacking energy: -164.084
Base-Backbone interact. energy: -0.755
local terms energy: -165.413557
where:
bonds (distance) C4'-P energy: -30.382
bonds (distance) P-C4' energy: -25.116
flat angles C4'-P-C4' energy: -37.302
flat angles P-C4'-P energy: -30.707
tors. eta vs tors. theta energy: -41.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -529.114847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.114847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.114847 (E_RNA)
where:
Base-Base interactions energy: -339.051
where: short stacking energy: -172.049
Base-Backbone interact. energy: -0.036
local terms energy: -190.027875
where:
bonds (distance) C4'-P energy: -34.057
bonds (distance) P-C4' energy: -28.116
flat angles C4'-P-C4' energy: -39.189
flat angles P-C4'-P energy: -30.733
tors. eta vs tors. theta energy: -57.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -485.528269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.528269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.528269 (E_RNA)
where:
Base-Base interactions energy: -322.711
where: short stacking energy: -148.579
Base-Backbone interact. energy: -0.274
local terms energy: -162.542945
where:
bonds (distance) C4'-P energy: -29.670
bonds (distance) P-C4' energy: -32.557
flat angles C4'-P-C4' energy: -33.024
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -45.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -445.822520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.822520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.822520 (E_RNA)
where:
Base-Base interactions energy: -282.404
where: short stacking energy: -153.654
Base-Backbone interact. energy: 0.898
local terms energy: -164.316636
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -26.968
flat angles C4'-P-C4' energy: -35.061
flat angles P-C4'-P energy: -26.244
tors. eta vs tors. theta energy: -46.642
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: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -339.951817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.951817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.951817 (E_RNA)
where:
Base-Base interactions energy: -205.728
where: short stacking energy: -102.310
Base-Backbone interact. energy: 0.670
local terms energy: -134.894039
where:
bonds (distance) C4'-P energy: -27.809
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -31.522
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -26.482
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: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -347.026685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.026685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.026685 (E_RNA)
where:
Base-Base interactions energy: -225.772
where: short stacking energy: -91.364
Base-Backbone interact. energy: -0.367
local terms energy: -120.887328
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -38.152
flat angles C4'-P-C4' energy: -24.920
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -16.544
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: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -173.429644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.429644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.429644 (E_RNA)
where:
Base-Base interactions energy: -60.658
where: short stacking energy: -55.402
Base-Backbone interact. energy: 0.433
local terms energy: -113.205611
where:
bonds (distance) C4'-P energy: -25.873
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -35.099
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -9.214
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: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -182.318907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.318907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.318907 (E_RNA)
where:
Base-Base interactions energy: -70.508
where: short stacking energy: -38.316
Base-Backbone interact. energy: 0.909
local terms energy: -112.719711
where:
bonds (distance) C4'-P energy: -28.001
bonds (distance) P-C4' energy: -29.112
flat angles C4'-P-C4' energy: -29.841
flat angles P-C4'-P energy: -19.997
tors. eta vs tors. theta energy: -5.769
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: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -146.279472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.279472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.279472 (E_RNA)
where:
Base-Base interactions energy: -38.652
where: short stacking energy: -28.565
Base-Backbone interact. energy: -1.758
local terms energy: -105.868692
where:
bonds (distance) C4'-P energy: -29.013
bonds (distance) P-C4' energy: -39.291
flat angles C4'-P-C4' energy: -35.398
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: 8.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -146.494058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.494058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.494058 (E_RNA)
where:
Base-Base interactions energy: -48.285
where: short stacking energy: -37.608
Base-Backbone interact. energy: 0.355
local terms energy: -98.564136
where:
bonds (distance) C4'-P energy: -26.929
bonds (distance) P-C4' energy: -33.399
flat angles C4'-P-C4' energy: -21.537
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: 4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -540.188120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.188120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.188120 (E_RNA)
where:
Base-Base interactions energy: -340.752
where: short stacking energy: -164.900
Base-Backbone interact. energy: -1.630
local terms energy: -197.805684
where:
bonds (distance) C4'-P energy: -40.182
bonds (distance) P-C4' energy: -29.435
flat angles C4'-P-C4' energy: -43.093
flat angles P-C4'-P energy: -27.145
tors. eta vs tors. theta energy: -57.951
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: 250
Temperature: 0.950000
Total energy: -536.262678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.262678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.262678 (E_RNA)
where:
Base-Base interactions energy: -363.885
where: short stacking energy: -152.334
Base-Backbone interact. energy: -0.228
local terms energy: -172.149742
where:
bonds (distance) C4'-P energy: -35.695
bonds (distance) P-C4' energy: -27.352
flat angles C4'-P-C4' energy: -37.732
flat angles P-C4'-P energy: -27.770
tors. eta vs tors. theta energy: -43.600
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: 3, replica: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -469.940996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.940996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.940996 (E_RNA)
where:
Base-Base interactions energy: -286.180
where: short stacking energy: -142.657
Base-Backbone interact. energy: -0.804
local terms energy: -182.956854
where:
bonds (distance) C4'-P energy: -30.626
bonds (distance) P-C4' energy: -36.376
flat angles C4'-P-C4' energy: -39.521
flat angles P-C4'-P energy: -28.631
tors. eta vs tors. theta energy: -47.803
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: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -480.352371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.352371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.352371 (E_RNA)
where:
Base-Base interactions energy: -317.543
where: short stacking energy: -133.401
Base-Backbone interact. energy: 1.205
local terms energy: -164.014432
where:
bonds (distance) C4'-P energy: -33.021
bonds (distance) P-C4' energy: -31.811
flat angles C4'-P-C4' energy: -35.383
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -43.376
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: 5, replica: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -403.225111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.225111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.225111 (E_RNA)
where:
Base-Base interactions energy: -247.115
where: short stacking energy: -119.503
Base-Backbone interact. energy: -0.390
local terms energy: -155.720407
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -35.093
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -21.323
tors. eta vs tors. theta energy: -39.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -325.825148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.825148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.825148 (E_RNA)
where:
Base-Base interactions energy: -193.632
where: short stacking energy: -103.796
Base-Backbone interact. energy: -1.186
local terms energy: -131.007147
where:
bonds (distance) C4'-P energy: -28.172
bonds (distance) P-C4' energy: -32.364
flat angles C4'-P-C4' energy: -29.421
flat angles P-C4'-P energy: -21.169
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -179.136995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.136995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.136995 (E_RNA)
where:
Base-Base interactions energy: -59.041
where: short stacking energy: -48.467
Base-Backbone interact. energy: -0.499
local terms energy: -119.596852
where:
bonds (distance) C4'-P energy: -37.560
bonds (distance) P-C4' energy: -30.295
flat angles C4'-P-C4' energy: -31.168
flat angles P-C4'-P energy: -15.072
tors. eta vs tors. theta energy: -5.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -172.210705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.210705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.210705 (E_RNA)
where:
Base-Base interactions energy: -64.796
where: short stacking energy: -57.562
Base-Backbone interact. energy: 2.103
local terms energy: -109.517272
where:
bonds (distance) C4'-P energy: -29.715
bonds (distance) P-C4' energy: -31.434
flat angles C4'-P-C4' energy: -27.409
flat angles P-C4'-P energy: -17.824
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -168.128035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.128035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.128035 (E_RNA)
where:
Base-Base interactions energy: -56.909
where: short stacking energy: -45.141
Base-Backbone interact. energy: -0.637
local terms energy: -110.581378
where:
bonds (distance) C4'-P energy: -31.716
bonds (distance) P-C4' energy: -38.139
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -148.368600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.368600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.368600 (E_RNA)
where:
Base-Base interactions energy: -43.541
where: short stacking energy: -32.426
Base-Backbone interact. energy: -0.382
local terms energy: -104.445677
where:
bonds (distance) C4'-P energy: -30.619
bonds (distance) P-C4' energy: -35.975
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -534.797166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.797166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.797166 (E_RNA)
where:
Base-Base interactions energy: -343.402
where: short stacking energy: -164.424
Base-Backbone interact. energy: -0.384
local terms energy: -191.011446
where:
bonds (distance) C4'-P energy: -32.074
bonds (distance) P-C4' energy: -38.426
flat angles C4'-P-C4' energy: -33.407
flat angles P-C4'-P energy: -28.532
tors. eta vs tors. theta energy: -58.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -533.380007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.380007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.380007 (E_RNA)
where:
Base-Base interactions energy: -362.282
where: short stacking energy: -139.480
Base-Backbone interact. energy: -1.010
local terms energy: -170.088071
where:
bonds (distance) C4'-P energy: -30.885
bonds (distance) P-C4' energy: -33.113
flat angles C4'-P-C4' energy: -33.858
flat angles P-C4'-P energy: -28.445
tors. eta vs tors. theta energy: -43.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -463.862680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.862680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.862680 (E_RNA)
where:
Base-Base interactions energy: -289.537
where: short stacking energy: -142.752
Base-Backbone interact. energy: -0.585
local terms energy: -173.741119
where:
bonds (distance) C4'-P energy: -33.232
bonds (distance) P-C4' energy: -37.851
flat angles C4'-P-C4' energy: -35.678
flat angles P-C4'-P energy: -18.630
tors. eta vs tors. theta energy: -48.350
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: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -467.519075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.519075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.519075 (E_RNA)
where:
Base-Base interactions energy: -304.216
where: short stacking energy: -133.243
Base-Backbone interact. energy: -1.330
local terms energy: -161.973406
where:
bonds (distance) C4'-P energy: -35.709
bonds (distance) P-C4' energy: -33.358
flat angles C4'-P-C4' energy: -34.042
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -42.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -381.318471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.318471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.318471 (E_RNA)
where:
Base-Base interactions energy: -219.253
where: short stacking energy: -103.542
Base-Backbone interact. energy: -0.387
local terms energy: -161.678447
where:
bonds (distance) C4'-P energy: -32.402
bonds (distance) P-C4' energy: -33.811
flat angles C4'-P-C4' energy: -37.408
flat angles P-C4'-P energy: -25.722
tors. eta vs tors. theta energy: -32.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -349.285348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.285348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.285348 (E_RNA)
where:
Base-Base interactions energy: -204.338
where: short stacking energy: -105.685
Base-Backbone interact. energy: -0.327
local terms energy: -144.620421
where:
bonds (distance) C4'-P energy: -34.628
bonds (distance) P-C4' energy: -25.119
flat angles C4'-P-C4' energy: -37.988
flat angles P-C4'-P energy: -20.715
tors. eta vs tors. theta energy: -26.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -174.522589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.522589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.522589 (E_RNA)
where:
Base-Base interactions energy: -66.776
where: short stacking energy: -44.789
Base-Backbone interact. energy: -1.945
local terms energy: -105.801416
where:
bonds (distance) C4'-P energy: -25.732
bonds (distance) P-C4' energy: -37.020
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -160.657053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.657053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.657053 (E_RNA)
where:
Base-Base interactions energy: -62.225
where: short stacking energy: -43.922
Base-Backbone interact. energy: 0.436
local terms energy: -98.867270
where:
bonds (distance) C4'-P energy: -34.758
bonds (distance) P-C4' energy: -29.282
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -147.772099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.772099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.772099 (E_RNA)
where:
Base-Base interactions energy: -39.224
where: short stacking energy: -32.388
Base-Backbone interact. energy: -0.152
local terms energy: -108.396011
where:
bonds (distance) C4'-P energy: -37.992
bonds (distance) P-C4' energy: -33.176
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: 3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -141.319368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.319368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.319368 (E_RNA)
where:
Base-Base interactions energy: -39.887
where: short stacking energy: -29.876
Base-Backbone interact. energy: 0.295
local terms energy: -101.727590
where:
bonds (distance) C4'-P energy: -36.405
bonds (distance) P-C4' energy: -34.296
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -19.113
tors. eta vs tors. theta energy: 4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -558.140438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.140438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.140438 (E_RNA)
where:
Base-Base interactions energy: -361.680
where: short stacking energy: -164.529
Base-Backbone interact. energy: -0.302
local terms energy: -196.158761
where:
bonds (distance) C4'-P energy: -35.232
bonds (distance) P-C4' energy: -38.318
flat angles C4'-P-C4' energy: -42.301
flat angles P-C4'-P energy: -25.787
tors. eta vs tors. theta energy: -54.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -524.767423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.767423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.767423 (E_RNA)
where:
Base-Base interactions energy: -358.565
where: short stacking energy: -138.742
Base-Backbone interact. energy: 0.390
local terms energy: -166.592234
where:
bonds (distance) C4'-P energy: -33.818
bonds (distance) P-C4' energy: -28.266
flat angles C4'-P-C4' energy: -36.461
flat angles P-C4'-P energy: -22.768
tors. eta vs tors. theta energy: -45.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -486.914639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.914639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.914639 (E_RNA)
where:
Base-Base interactions energy: -325.704
where: short stacking energy: -156.512
Base-Backbone interact. energy: -0.728
local terms energy: -160.482467
where:
bonds (distance) C4'-P energy: -26.160
bonds (distance) P-C4' energy: -31.347
flat angles C4'-P-C4' energy: -33.948
flat angles P-C4'-P energy: -25.472
tors. eta vs tors. theta energy: -43.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -463.227374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.227374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.227374 (E_RNA)
where:
Base-Base interactions energy: -305.868
where: short stacking energy: -136.131
Base-Backbone interact. energy: -0.129
local terms energy: -157.229862
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -30.845
flat angles C4'-P-C4' energy: -34.854
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: -44.602
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: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -380.961138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.961138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.961138 (E_RNA)
where:
Base-Base interactions energy: -216.291
where: short stacking energy: -103.354
Base-Backbone interact. energy: -0.226
local terms energy: -164.444370
where:
bonds (distance) C4'-P energy: -34.412
bonds (distance) P-C4' energy: -34.134
flat angles C4'-P-C4' energy: -35.033
flat angles P-C4'-P energy: -26.219
tors. eta vs tors. theta energy: -34.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -318.865863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.865863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.865863 (E_RNA)
where:
Base-Base interactions energy: -187.240
where: short stacking energy: -99.495
Base-Backbone interact. energy: 0.186
local terms energy: -131.812405
where:
bonds (distance) C4'-P energy: -30.745
bonds (distance) P-C4' energy: -26.947
flat angles C4'-P-C4' energy: -29.450
flat angles P-C4'-P energy: -20.877
tors. eta vs tors. theta energy: -23.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -186.130416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.130416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.130416 (E_RNA)
where:
Base-Base interactions energy: -75.186
where: short stacking energy: -41.806
Base-Backbone interact. energy: -2.197
local terms energy: -108.746762
where:
bonds (distance) C4'-P energy: -28.783
bonds (distance) P-C4' energy: -32.404
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: -4.497
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: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -183.197754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.197754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.197754 (E_RNA)
where:
Base-Base interactions energy: -75.299
where: short stacking energy: -54.109
Base-Backbone interact. energy: 0.430
local terms energy: -108.329229
where:
bonds (distance) C4'-P energy: -30.903
bonds (distance) P-C4' energy: -38.733
flat angles C4'-P-C4' energy: -22.061
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -2.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -154.663998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.663998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.663998 (E_RNA)
where:
Base-Base interactions energy: -57.977
where: short stacking energy: -33.000
Base-Backbone interact. energy: 0.530
local terms energy: -97.216689
where:
bonds (distance) C4'-P energy: -25.935
bonds (distance) P-C4' energy: -33.134
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: 5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -142.410716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.410716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.410716 (E_RNA)
where:
Base-Base interactions energy: -49.690
where: short stacking energy: -35.519
Base-Backbone interact. energy: 1.976
local terms energy: -94.697298
where:
bonds (distance) C4'-P energy: -33.052
bonds (distance) P-C4' energy: -30.339
flat angles C4'-P-C4' energy: -21.652
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: 8.100
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: 253
Temperature: 0.900000
Total energy: -531.532246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.532246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.532246 (E_RNA)
where:
Base-Base interactions energy: -342.930
where: short stacking energy: -159.843
Base-Backbone interact. energy: -0.004
local terms energy: -188.598727
where:
bonds (distance) C4'-P energy: -28.679
bonds (distance) P-C4' energy: -33.588
flat angles C4'-P-C4' energy: -39.474
flat angles P-C4'-P energy: -31.812
tors. eta vs tors. theta energy: -55.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -534.256679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.256679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.256679 (E_RNA)
where:
Base-Base interactions energy: -345.598
where: short stacking energy: -147.055
Base-Backbone interact. energy: -1.641
local terms energy: -187.017630
where:
bonds (distance) C4'-P energy: -36.580
bonds (distance) P-C4' energy: -38.237
flat angles C4'-P-C4' energy: -41.688
flat angles P-C4'-P energy: -27.190
tors. eta vs tors. theta energy: -43.322
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: 3, replica: 6
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -493.890550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.890550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.890550 (E_RNA)
where:
Base-Base interactions energy: -318.621
where: short stacking energy: -137.612
Base-Backbone interact. energy: -0.977
local terms energy: -174.291659
where:
bonds (distance) C4'-P energy: -34.561
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -40.067
flat angles P-C4'-P energy: -23.609
tors. eta vs tors. theta energy: -43.609
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: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -382.179177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.179177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.179177 (E_RNA)
where:
Base-Base interactions energy: -222.690
where: short stacking energy: -111.592
Base-Backbone interact. energy: -0.456
local terms energy: -159.033394
where:
bonds (distance) C4'-P energy: -37.598
bonds (distance) P-C4' energy: -32.163
flat angles C4'-P-C4' energy: -25.215
flat angles P-C4'-P energy: -30.468
tors. eta vs tors. theta energy: -33.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -449.655368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.655368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.655368 (E_RNA)
where:
Base-Base interactions energy: -280.608
where: short stacking energy: -120.252
Base-Backbone interact. energy: -0.342
local terms energy: -168.705266
where:
bonds (distance) C4'-P energy: -34.362
bonds (distance) P-C4' energy: -26.142
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -25.733
tors. eta vs tors. theta energy: -47.642
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: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -333.471297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.471297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.471297 (E_RNA)
where:
Base-Base interactions energy: -208.248
where: short stacking energy: -98.542
Base-Backbone interact. energy: -0.995
local terms energy: -124.228364
where:
bonds (distance) C4'-P energy: -28.457
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -27.663
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -26.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -190.049165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.049165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.049165 (E_RNA)
where:
Base-Base interactions energy: -82.093
where: short stacking energy: -53.979
Base-Backbone interact. energy: -1.429
local terms energy: -106.526851
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -32.900
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -23.242
tors. eta vs tors. theta energy: -0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -171.268822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.268822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.268822 (E_RNA)
where:
Base-Base interactions energy: -65.032
where: short stacking energy: -43.957
Base-Backbone interact. energy: -0.557
local terms energy: -105.680120
where:
bonds (distance) C4'-P energy: -37.395
bonds (distance) P-C4' energy: -29.174
flat angles C4'-P-C4' energy: -22.203
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -162.290349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.290349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.290349 (E_RNA)
where:
Base-Base interactions energy: -54.554
where: short stacking energy: -46.136
Base-Backbone interact. energy: -0.195
local terms energy: -107.540697
where:
bonds (distance) C4'-P energy: -35.897
bonds (distance) P-C4' energy: -41.334
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: 3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -148.390987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.390987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.390987 (E_RNA)
where:
Base-Base interactions energy: -63.105
where: short stacking energy: -49.565
Base-Backbone interact. energy: 0.439
local terms energy: -85.724513
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -34.392
flat angles C4'-P-C4' energy: -21.803
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: 1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -531.392694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.392694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.392694 (E_RNA)
where:
Base-Base interactions energy: -353.955
where: short stacking energy: -157.387
Base-Backbone interact. energy: -0.973
local terms energy: -176.465003
where:
bonds (distance) C4'-P energy: -36.208
bonds (distance) P-C4' energy: -37.925
flat angles C4'-P-C4' energy: -36.656
flat angles P-C4'-P energy: -21.399
tors. eta vs tors. theta energy: -44.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -505.557480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.557480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.557480 (E_RNA)
where:
Base-Base interactions energy: -326.123
where: short stacking energy: -154.759
Base-Backbone interact. energy: -0.094
local terms energy: -179.340571
where:
bonds (distance) C4'-P energy: -32.352
bonds (distance) P-C4' energy: -35.388
flat angles C4'-P-C4' energy: -40.136
flat angles P-C4'-P energy: -27.898
tors. eta vs tors. theta energy: -43.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -490.793448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.793448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.793448 (E_RNA)
where:
Base-Base interactions energy: -321.158
where: short stacking energy: -142.993
Base-Backbone interact. energy: -1.351
local terms energy: -168.283935
where:
bonds (distance) C4'-P energy: -32.330
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -34.973
flat angles P-C4'-P energy: -25.505
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: 4, replica: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -409.046678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.046678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.046678 (E_RNA)
where:
Base-Base interactions energy: -245.698
where: short stacking energy: -108.420
Base-Backbone interact. energy: -0.926
local terms energy: -162.423102
where:
bonds (distance) C4'-P energy: -35.594
bonds (distance) P-C4' energy: -31.508
flat angles C4'-P-C4' energy: -38.589
flat angles P-C4'-P energy: -23.145
tors. eta vs tors. theta energy: -33.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -437.011519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.011519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.011519 (E_RNA)
where:
Base-Base interactions energy: -277.660
where: short stacking energy: -133.355
Base-Backbone interact. energy: -0.081
local terms energy: -159.270500
where:
bonds (distance) C4'-P energy: -28.079
bonds (distance) P-C4' energy: -26.087
flat angles C4'-P-C4' energy: -36.502
flat angles P-C4'-P energy: -24.281
tors. eta vs tors. theta energy: -44.320
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: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -348.587472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.587472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.587472 (E_RNA)
where:
Base-Base interactions energy: -211.276
where: short stacking energy: -97.500
Base-Backbone interact. energy: -2.361
local terms energy: -134.950465
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -31.024
flat angles C4'-P-C4' energy: -33.868
flat angles P-C4'-P energy: -23.851
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -171.375706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.375706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.375706 (E_RNA)
where:
Base-Base interactions energy: -46.493
where: short stacking energy: -42.778
Base-Backbone interact. energy: -0.974
local terms energy: -123.909374
where:
bonds (distance) C4'-P energy: -30.774
bonds (distance) P-C4' energy: -34.453
flat angles C4'-P-C4' energy: -34.561
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: 0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -198.789550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.789550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.789550 (E_RNA)
where:
Base-Base interactions energy: -86.289
where: short stacking energy: -46.436
Base-Backbone interact. energy: -0.593
local terms energy: -111.907440
where:
bonds (distance) C4'-P energy: -27.469
bonds (distance) P-C4' energy: -32.405
flat angles C4'-P-C4' energy: -29.649
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -7.060
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: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -146.765795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.765795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.765795 (E_RNA)
where:
Base-Base interactions energy: -34.049
where: short stacking energy: -34.749
Base-Backbone interact. energy: -0.160
local terms energy: -112.556134
where:
bonds (distance) C4'-P energy: -32.734
bonds (distance) P-C4' energy: -34.791
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -168.651645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.651645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.651645 (E_RNA)
where:
Base-Base interactions energy: -71.790
where: short stacking energy: -47.287
Base-Backbone interact. energy: 2.126
local terms energy: -98.988125
where:
bonds (distance) C4'-P energy: -31.131
bonds (distance) P-C4' energy: -30.358
flat angles C4'-P-C4' energy: -27.303
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: 7.514
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: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -540.500277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.500277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.500277 (E_RNA)
where:
Base-Base interactions energy: -367.810
where: short stacking energy: -157.676
Base-Backbone interact. energy: -1.432
local terms energy: -171.257904
where:
bonds (distance) C4'-P energy: -35.653
bonds (distance) P-C4' energy: -39.071
flat angles C4'-P-C4' energy: -32.010
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -46.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -494.736649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.736649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.736649 (E_RNA)
where:
Base-Base interactions energy: -342.016
where: short stacking energy: -144.931
Base-Backbone interact. energy: 1.027
local terms energy: -153.747163
where:
bonds (distance) C4'-P energy: -31.323
bonds (distance) P-C4' energy: -27.787
flat angles C4'-P-C4' energy: -29.268
flat angles P-C4'-P energy: -22.983
tors. eta vs tors. theta energy: -42.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -498.413219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.413219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.413219 (E_RNA)
where:
Base-Base interactions energy: -314.546
where: short stacking energy: -159.076
Base-Backbone interact. energy: 0.856
local terms energy: -184.723204
where:
bonds (distance) C4'-P energy: -31.160
bonds (distance) P-C4' energy: -35.641
flat angles C4'-P-C4' energy: -38.980
flat angles P-C4'-P energy: -26.095
tors. eta vs tors. theta energy: -52.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -439.077685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.077685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.077685 (E_RNA)
where:
Base-Base interactions energy: -281.275
where: short stacking energy: -137.579
Base-Backbone interact. energy: 1.011
local terms energy: -158.813693
where:
bonds (distance) C4'-P energy: -36.723
bonds (distance) P-C4' energy: -32.121
flat angles C4'-P-C4' energy: -35.752
flat angles P-C4'-P energy: -19.632
tors. eta vs tors. theta energy: -34.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -409.800384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.800384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.800384 (E_RNA)
where:
Base-Base interactions energy: -254.059
where: short stacking energy: -127.936
Base-Backbone interact. energy: -0.386
local terms energy: -155.355253
where:
bonds (distance) C4'-P energy: -31.495
bonds (distance) P-C4' energy: -27.717
flat angles C4'-P-C4' energy: -37.673
flat angles P-C4'-P energy: -20.190
tors. eta vs tors. theta energy: -38.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -343.065272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.065272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.065272 (E_RNA)
where:
Base-Base interactions energy: -206.683
where: short stacking energy: -98.862
Base-Backbone interact. energy: 2.036
local terms energy: -138.418712
where:
bonds (distance) C4'-P energy: -35.834
bonds (distance) P-C4' energy: -26.791
flat angles C4'-P-C4' energy: -36.987
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -22.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -185.490496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.490496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.490496 (E_RNA)
where:
Base-Base interactions energy: -63.417
where: short stacking energy: -60.793
Base-Backbone interact. energy: 0.337
local terms energy: -122.409825
where:
bonds (distance) C4'-P energy: -25.976
bonds (distance) P-C4' energy: -32.720
flat angles C4'-P-C4' energy: -36.819
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -193.282155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.282155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.282155 (E_RNA)
where:
Base-Base interactions energy: -79.843
where: short stacking energy: -50.315
Base-Backbone interact. energy: -0.112
local terms energy: -113.327238
where:
bonds (distance) C4'-P energy: -26.217
bonds (distance) P-C4' energy: -38.319
flat angles C4'-P-C4' energy: -27.833
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -8.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -165.882721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.882721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.882721 (E_RNA)
where:
Base-Base interactions energy: -75.210
where: short stacking energy: -49.688
Base-Backbone interact. energy: -0.512
local terms energy: -90.159966
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -35.124
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -17.205
tors. eta vs tors. theta energy: -0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -169.939104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.939104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.939104 (E_RNA)
where:
Base-Base interactions energy: -63.527
where: short stacking energy: -40.052
Base-Backbone interact. energy: -1.173
local terms energy: -105.238610
where:
bonds (distance) C4'-P energy: -36.422
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -19.378
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -536.138727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.138727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.138727 (E_RNA)
where:
Base-Base interactions energy: -360.556
where: short stacking energy: -158.382
Base-Backbone interact. energy: -0.318
local terms energy: -175.264957
where:
bonds (distance) C4'-P energy: -37.701
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -38.676
flat angles P-C4'-P energy: -29.505
tors. eta vs tors. theta energy: -45.982
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: 2, replica: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -493.322162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.322162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.322162 (E_RNA)
where:
Base-Base interactions energy: -329.481
where: short stacking energy: -141.989
Base-Backbone interact. energy: 0.002
local terms energy: -163.842893
where:
bonds (distance) C4'-P energy: -35.738
bonds (distance) P-C4' energy: -31.277
flat angles C4'-P-C4' energy: -39.764
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: -37.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -476.059831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.059831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.059831 (E_RNA)
where:
Base-Base interactions energy: -296.652
where: short stacking energy: -141.344
Base-Backbone interact. energy: -0.010
local terms energy: -179.397811
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -35.161
flat angles C4'-P-C4' energy: -37.201
flat angles P-C4'-P energy: -21.194
tors. eta vs tors. theta energy: -54.770
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: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -423.991567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.991567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.991567 (E_RNA)
where:
Base-Base interactions energy: -274.352
where: short stacking energy: -130.866
Base-Backbone interact. energy: 0.733
local terms energy: -150.372943
where:
bonds (distance) C4'-P energy: -28.555
bonds (distance) P-C4' energy: -29.084
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -24.319
tors. eta vs tors. theta energy: -35.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -407.092976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.092976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.092976 (E_RNA)
where:
Base-Base interactions energy: -254.728
where: short stacking energy: -114.374
Base-Backbone interact. energy: -0.593
local terms energy: -151.772328
where:
bonds (distance) C4'-P energy: -28.973
bonds (distance) P-C4' energy: -29.288
flat angles C4'-P-C4' energy: -35.084
flat angles P-C4'-P energy: -22.799
tors. eta vs tors. theta energy: -35.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -391.571862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.571862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.571862 (E_RNA)
where:
Base-Base interactions energy: -253.175
where: short stacking energy: -115.585
Base-Backbone interact. energy: -0.213
local terms energy: -138.184152
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -27.901
flat angles C4'-P-C4' energy: -32.989
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: -32.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -183.807553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.807553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.807553 (E_RNA)
where:
Base-Base interactions energy: -73.797
where: short stacking energy: -58.906
Base-Backbone interact. energy: -0.321
local terms energy: -109.689542
where:
bonds (distance) C4'-P energy: -27.784
bonds (distance) P-C4' energy: -30.662
flat angles C4'-P-C4' energy: -27.921
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -9.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -173.552761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.552761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.552761 (E_RNA)
where:
Base-Base interactions energy: -67.185
where: short stacking energy: -46.132
Base-Backbone interact. energy: 0.902
local terms energy: -107.269815
where:
bonds (distance) C4'-P energy: -29.018
bonds (distance) P-C4' energy: -29.621
flat angles C4'-P-C4' energy: -28.651
flat angles P-C4'-P energy: -15.359
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: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -181.897698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.897698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.897698 (E_RNA)
where:
Base-Base interactions energy: -79.623
where: short stacking energy: -45.415
Base-Backbone interact. energy: 1.370
local terms energy: -103.645266
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -33.476
flat angles C4'-P-C4' energy: -28.219
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -144.985838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.985838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.985838 (E_RNA)
where:
Base-Base interactions energy: -37.936
where: short stacking energy: -30.615
Base-Backbone interact. energy: -0.012
local terms energy: -107.038069
where:
bonds (distance) C4'-P energy: -35.067
bonds (distance) P-C4' energy: -31.536
flat angles C4'-P-C4' energy: -28.106
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -2.300
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: 1, replica: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -549.219127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.219127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.219127 (E_RNA)
where:
Base-Base interactions energy: -375.968
where: short stacking energy: -158.549
Base-Backbone interact. energy: -0.575
local terms energy: -172.676560
where:
bonds (distance) C4'-P energy: -28.203
bonds (distance) P-C4' energy: -33.450
flat angles C4'-P-C4' energy: -27.944
flat angles P-C4'-P energy: -32.532
tors. eta vs tors. theta energy: -50.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -492.358105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.358105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.358105 (E_RNA)
where:
Base-Base interactions energy: -301.575
where: short stacking energy: -138.902
Base-Backbone interact. energy: -0.042
local terms energy: -190.741052
where:
bonds (distance) C4'-P energy: -37.639
bonds (distance) P-C4' energy: -35.682
flat angles C4'-P-C4' energy: -41.165
flat angles P-C4'-P energy: -30.910
tors. eta vs tors. theta energy: -45.346
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: 3, replica: 6
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -478.384337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.384337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.384337 (E_RNA)
where:
Base-Base interactions energy: -319.037
where: short stacking energy: -140.957
Base-Backbone interact. energy: -1.160
local terms energy: -158.187241
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -38.967
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -22.371
tors. eta vs tors. theta energy: -42.978
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: 257
Temperature: 1.050000
Total energy: -431.029772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.029772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.029772 (E_RNA)
where:
Base-Base interactions energy: -269.495
where: short stacking energy: -135.104
Base-Backbone interact. energy: -0.485
local terms energy: -161.049917
where:
bonds (distance) C4'-P energy: -29.660
bonds (distance) P-C4' energy: -30.306
flat angles C4'-P-C4' energy: -35.735
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -44.453
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: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -409.164705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.164705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.164705 (E_RNA)
where:
Base-Base interactions energy: -257.363
where: short stacking energy: -112.883
Base-Backbone interact. energy: -0.562
local terms energy: -151.239675
where:
bonds (distance) C4'-P energy: -24.890
bonds (distance) P-C4' energy: -37.276
flat angles C4'-P-C4' energy: -26.750
flat angles P-C4'-P energy: -27.843
tors. eta vs tors. theta energy: -34.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -386.022289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.022289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.022289 (E_RNA)
where:
Base-Base interactions energy: -234.779
where: short stacking energy: -115.783
Base-Backbone interact. energy: -0.064
local terms energy: -151.178974
where:
bonds (distance) C4'-P energy: -29.114
bonds (distance) P-C4' energy: -32.429
flat angles C4'-P-C4' energy: -25.158
flat angles P-C4'-P energy: -24.447
tors. eta vs tors. theta energy: -40.031
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: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -179.554754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.554754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.554754 (E_RNA)
where:
Base-Base interactions energy: -64.725
where: short stacking energy: -47.408
Base-Backbone interact. energy: -1.093
local terms energy: -113.736806
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -35.071
flat angles C4'-P-C4' energy: -28.224
flat angles P-C4'-P energy: -19.841
tors. eta vs tors. theta energy: -1.883
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: 2
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -209.494447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.494447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.494447 (E_RNA)
where:
Base-Base interactions energy: -113.576
where: short stacking energy: -57.515
Base-Backbone interact. energy: -1.034
local terms energy: -94.883775
where:
bonds (distance) C4'-P energy: -25.314
bonds (distance) P-C4' energy: -32.445
flat angles C4'-P-C4' energy: -27.742
flat angles P-C4'-P energy: -2.118
tors. eta vs tors. theta energy: -7.265
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: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -167.493788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.493788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.493788 (E_RNA)
where:
Base-Base interactions energy: -64.556
where: short stacking energy: -47.828
Base-Backbone interact. energy: 4.055
local terms energy: -106.992176
where:
bonds (distance) C4'-P energy: -26.445
bonds (distance) P-C4' energy: -33.156
flat angles C4'-P-C4' energy: -33.104
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: 6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -135.456633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.456633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.456633 (E_RNA)
where:
Base-Base interactions energy: -42.898
where: short stacking energy: -30.566
Base-Backbone interact. energy: -1.262
local terms energy: -91.296649
where:
bonds (distance) C4'-P energy: -35.427
bonds (distance) P-C4' energy: -30.309
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: 9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -507.210387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.210387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.210387 (E_RNA)
where:
Base-Base interactions energy: -325.563
where: short stacking energy: -163.885
Base-Backbone interact. energy: 0.085
local terms energy: -181.732611
where:
bonds (distance) C4'-P energy: -34.647
bonds (distance) P-C4' energy: -32.984
flat angles C4'-P-C4' energy: -37.700
flat angles P-C4'-P energy: -23.949
tors. eta vs tors. theta energy: -52.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -528.084310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.084310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.084310 (E_RNA)
where:
Base-Base interactions energy: -366.902
where: short stacking energy: -143.931
Base-Backbone interact. energy: -1.412
local terms energy: -159.770310
where:
bonds (distance) C4'-P energy: -31.172
bonds (distance) P-C4' energy: -29.513
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -22.312
tors. eta vs tors. theta energy: -43.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -465.538998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.538998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.538998 (E_RNA)
where:
Base-Base interactions energy: -309.383
where: short stacking energy: -138.874
Base-Backbone interact. energy: -0.639
local terms energy: -155.517151
where:
bonds (distance) C4'-P energy: -25.377
bonds (distance) P-C4' energy: -36.560
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -41.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -422.748636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.748636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.748636 (E_RNA)
where:
Base-Base interactions energy: -269.479
where: short stacking energy: -133.676
Base-Backbone interact. energy: -0.085
local terms energy: -153.185089
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -34.070
flat angles C4'-P-C4' energy: -37.012
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -41.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -382.911324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.911324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.911324 (E_RNA)
where:
Base-Base interactions energy: -224.598
where: short stacking energy: -100.446
Base-Backbone interact. energy: -0.204
local terms energy: -158.109839
where:
bonds (distance) C4'-P energy: -32.788
bonds (distance) P-C4' energy: -39.799
flat angles C4'-P-C4' energy: -25.572
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: -36.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -374.414133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.414133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.414133 (E_RNA)
where:
Base-Base interactions energy: -225.347
where: short stacking energy: -106.083
Base-Backbone interact. energy: 0.063
local terms energy: -149.129674
where:
bonds (distance) C4'-P energy: -33.360
bonds (distance) P-C4' energy: -35.867
flat angles C4'-P-C4' energy: -32.953
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -24.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -208.303421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.303421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.303421 (E_RNA)
where:
Base-Base interactions energy: -98.291
where: short stacking energy: -50.177
Base-Backbone interact. energy: 0.184
local terms energy: -110.196415
where:
bonds (distance) C4'-P energy: -25.801
bonds (distance) P-C4' energy: -32.948
flat angles C4'-P-C4' energy: -24.371
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -15.898
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: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -171.615470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.615470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.615470 (E_RNA)
where:
Base-Base interactions energy: -78.909
where: short stacking energy: -49.356
Base-Backbone interact. energy: -0.083
local terms energy: -92.623285
where:
bonds (distance) C4'-P energy: -31.519
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: 0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -154.566386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.566386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.566386 (E_RNA)
where:
Base-Base interactions energy: -47.687
where: short stacking energy: -46.599
Base-Backbone interact. energy: -1.084
local terms energy: -105.795743
where:
bonds (distance) C4'-P energy: -29.475
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -28.571
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -150.119126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.119126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.119126 (E_RNA)
where:
Base-Base interactions energy: -57.554
where: short stacking energy: -45.856
Base-Backbone interact. energy: -1.872
local terms energy: -90.692646
where:
bonds (distance) C4'-P energy: -26.119
bonds (distance) P-C4' energy: -27.073
flat angles C4'-P-C4' energy: -26.474
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: 0.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -510.160216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.160216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.160216 (E_RNA)
where:
Base-Base interactions energy: -322.163
where: short stacking energy: -155.273
Base-Backbone interact. energy: 0.646
local terms energy: -188.643570
where:
bonds (distance) C4'-P energy: -34.575
bonds (distance) P-C4' energy: -38.829
flat angles C4'-P-C4' energy: -37.940
flat angles P-C4'-P energy: -28.194
tors. eta vs tors. theta energy: -49.105
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: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -537.315799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.315799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.315799 (E_RNA)
where:
Base-Base interactions energy: -367.258
where: short stacking energy: -161.753
Base-Backbone interact. energy: -0.830
local terms energy: -169.227506
where:
bonds (distance) C4'-P energy: -39.071
bonds (distance) P-C4' energy: -31.989
flat angles C4'-P-C4' energy: -33.050
flat angles P-C4'-P energy: -19.602
tors. eta vs tors. theta energy: -45.517
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: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -499.117391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.117391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.117391 (E_RNA)
where:
Base-Base interactions energy: -334.565
where: short stacking energy: -141.518
Base-Backbone interact. energy: 0.074
local terms energy: -164.626699
where:
bonds (distance) C4'-P energy: -36.017
bonds (distance) P-C4' energy: -27.720
flat angles C4'-P-C4' energy: -36.898
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -47.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -413.297875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.297875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.297875 (E_RNA)
where:
Base-Base interactions energy: -256.991
where: short stacking energy: -113.363
Base-Backbone interact. energy: -1.065
local terms energy: -155.242355
where:
bonds (distance) C4'-P energy: -30.431
bonds (distance) P-C4' energy: -36.964
flat angles C4'-P-C4' energy: -31.007
flat angles P-C4'-P energy: -21.648
tors. eta vs tors. theta energy: -35.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -393.908550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.908550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.908550 (E_RNA)
where:
Base-Base interactions energy: -263.853
where: short stacking energy: -118.660
Base-Backbone interact. energy: -0.631
local terms energy: -129.424798
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -32.578
flat angles C4'-P-C4' energy: -29.461
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -32.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -337.375192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.375192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.375192 (E_RNA)
where:
Base-Base interactions energy: -191.384
where: short stacking energy: -94.780
Base-Backbone interact. energy: -0.271
local terms energy: -145.720251
where:
bonds (distance) C4'-P energy: -30.553
bonds (distance) P-C4' energy: -37.580
flat angles C4'-P-C4' energy: -31.388
flat angles P-C4'-P energy: -20.072
tors. eta vs tors. theta energy: -26.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -191.699343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.699343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.699343 (E_RNA)
where:
Base-Base interactions energy: -84.490
where: short stacking energy: -51.376
Base-Backbone interact. energy: 0.993
local terms energy: -108.202176
where:
bonds (distance) C4'-P energy: -31.859
bonds (distance) P-C4' energy: -29.841
flat angles C4'-P-C4' energy: -25.859
flat angles P-C4'-P energy: -17.850
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -173.438247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.438247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.438247 (E_RNA)
where:
Base-Base interactions energy: -71.125
where: short stacking energy: -36.970
Base-Backbone interact. energy: -0.265
local terms energy: -102.048306
where:
bonds (distance) C4'-P energy: -32.775
bonds (distance) P-C4' energy: -26.280
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -22.627
tors. eta vs tors. theta energy: 3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -154.417594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.417594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.417594 (E_RNA)
where:
Base-Base interactions energy: -48.250
where: short stacking energy: -39.255
Base-Backbone interact. energy: -1.360
local terms energy: -104.807806
where:
bonds (distance) C4'-P energy: -30.519
bonds (distance) P-C4' energy: -35.148
flat angles C4'-P-C4' energy: -26.784
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -145.251965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.251965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.251965 (E_RNA)
where:
Base-Base interactions energy: -32.392
where: short stacking energy: -21.979
Base-Backbone interact. energy: -0.891
local terms energy: -111.969379
where:
bonds (distance) C4'-P energy: -30.528
bonds (distance) P-C4' energy: -38.894
flat angles C4'-P-C4' energy: -33.150
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: 4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -539.786510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.786510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.786510 (E_RNA)
where:
Base-Base interactions energy: -362.010
where: short stacking energy: -160.649
Base-Backbone interact. energy: -0.396
local terms energy: -177.380406
where:
bonds (distance) C4'-P energy: -35.717
bonds (distance) P-C4' energy: -31.638
flat angles C4'-P-C4' energy: -36.874
flat angles P-C4'-P energy: -24.963
tors. eta vs tors. theta energy: -48.190
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: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -491.952462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.952462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.952462 (E_RNA)
where:
Base-Base interactions energy: -312.633
where: short stacking energy: -155.235
Base-Backbone interact. energy: -0.117
local terms energy: -179.202479
where:
bonds (distance) C4'-P energy: -31.610
bonds (distance) P-C4' energy: -33.700
flat angles C4'-P-C4' energy: -40.030
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -48.452
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: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -498.919301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.919301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.919301 (E_RNA)
where:
Base-Base interactions energy: -331.416
where: short stacking energy: -144.758
Base-Backbone interact. energy: 1.781
local terms energy: -169.284920
where:
bonds (distance) C4'-P energy: -35.655
bonds (distance) P-C4' energy: -32.661
flat angles C4'-P-C4' energy: -35.606
flat angles P-C4'-P energy: -23.864
tors. eta vs tors. theta energy: -41.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -416.028422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.028422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.028422 (E_RNA)
where:
Base-Base interactions energy: -251.199
where: short stacking energy: -116.469
Base-Backbone interact. energy: -0.649
local terms energy: -164.180340
where:
bonds (distance) C4'-P energy: -37.247
bonds (distance) P-C4' energy: -26.172
flat angles C4'-P-C4' energy: -40.058
flat angles P-C4'-P energy: -26.928
tors. eta vs tors. theta energy: -33.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -393.360346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.360346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.360346 (E_RNA)
where:
Base-Base interactions energy: -246.158
where: short stacking energy: -107.769
Base-Backbone interact. energy: -0.719
local terms energy: -146.483105
where:
bonds (distance) C4'-P energy: -29.877
bonds (distance) P-C4' energy: -27.154
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -27.632
tors. eta vs tors. theta energy: -33.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -325.821875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.821875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.821875 (E_RNA)
where:
Base-Base interactions energy: -194.903
where: short stacking energy: -93.356
Base-Backbone interact. energy: -0.546
local terms energy: -130.373536
where:
bonds (distance) C4'-P energy: -23.247
bonds (distance) P-C4' energy: -37.206
flat angles C4'-P-C4' energy: -30.413
flat angles P-C4'-P energy: -18.430
tors. eta vs tors. theta energy: -21.078
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: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -210.326169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.326169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.326169 (E_RNA)
where:
Base-Base interactions energy: -103.246
where: short stacking energy: -57.864
Base-Backbone interact. energy: -1.533
local terms energy: -105.547145
where:
bonds (distance) C4'-P energy: -34.117
bonds (distance) P-C4' energy: -33.739
flat angles C4'-P-C4' energy: -27.373
flat angles P-C4'-P energy: -18.377
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: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -161.990044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.990044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.990044 (E_RNA)
where:
Base-Base interactions energy: -61.148
where: short stacking energy: -50.170
Base-Backbone interact. energy: 1.077
local terms energy: -101.918833
where:
bonds (distance) C4'-P energy: -29.919
bonds (distance) P-C4' energy: -36.528
flat angles C4'-P-C4' energy: -35.909
flat angles P-C4'-P energy: 5.289
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -161.786605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.786605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.786605 (E_RNA)
where:
Base-Base interactions energy: -60.013
where: short stacking energy: -59.442
Base-Backbone interact. energy: -0.508
local terms energy: -101.266094
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -33.295
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -7.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -155.131696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.131696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.131696 (E_RNA)
where:
Base-Base interactions energy: -38.337
where: short stacking energy: -31.122
Base-Backbone interact. energy: -0.565
local terms energy: -116.229218
where:
bonds (distance) C4'-P energy: -33.578
bonds (distance) P-C4' energy: -30.338
flat angles C4'-P-C4' energy: -30.064
flat angles P-C4'-P energy: -27.293
tors. eta vs tors. theta energy: 5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -548.505699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.505699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.505699 (E_RNA)
where:
Base-Base interactions energy: -362.997
where: short stacking energy: -156.117
Base-Backbone interact. energy: -0.340
local terms energy: -185.168450
where:
bonds (distance) C4'-P energy: -34.294
bonds (distance) P-C4' energy: -33.750
flat angles C4'-P-C4' energy: -42.945
flat angles P-C4'-P energy: -27.631
tors. eta vs tors. theta energy: -46.548
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: 6
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -479.560760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.560760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.560760 (E_RNA)
where:
Base-Base interactions energy: -320.724
where: short stacking energy: -140.914
Base-Backbone interact. energy: 0.663
local terms energy: -159.499010
where:
bonds (distance) C4'-P energy: -36.995
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -30.753
flat angles P-C4'-P energy: -30.488
tors. eta vs tors. theta energy: -41.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -496.684885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.684885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.684885 (E_RNA)
where:
Base-Base interactions energy: -313.028
where: short stacking energy: -157.340
Base-Backbone interact. energy: -0.073
local terms energy: -183.583730
where:
bonds (distance) C4'-P energy: -34.636
bonds (distance) P-C4' energy: -31.814
flat angles C4'-P-C4' energy: -40.286
flat angles P-C4'-P energy: -22.281
tors. eta vs tors. theta energy: -54.566
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: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -422.015658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.015658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.015658 (E_RNA)
where:
Base-Base interactions energy: -266.169
where: short stacking energy: -126.039
Base-Backbone interact. energy: 0.635
local terms energy: -156.482223
where:
bonds (distance) C4'-P energy: -31.133
bonds (distance) P-C4' energy: -32.338
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -38.032
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: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -400.978876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.978876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.978876 (E_RNA)
where:
Base-Base interactions energy: -252.160
where: short stacking energy: -108.714
Base-Backbone interact. energy: -0.197
local terms energy: -148.621949
where:
bonds (distance) C4'-P energy: -28.410
bonds (distance) P-C4' energy: -31.083
flat angles C4'-P-C4' energy: -32.814
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -35.201
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: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -363.723070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.723070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.723070 (E_RNA)
where:
Base-Base interactions energy: -213.404
where: short stacking energy: -102.405
Base-Backbone interact. energy: -0.950
local terms energy: -149.369254
where:
bonds (distance) C4'-P energy: -38.831
bonds (distance) P-C4' energy: -32.343
flat angles C4'-P-C4' energy: -33.938
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -30.054
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: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -175.842666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.842666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.842666 (E_RNA)
where:
Base-Base interactions energy: -62.453
where: short stacking energy: -48.528
Base-Backbone interact. energy: -1.212
local terms energy: -112.177396
where:
bonds (distance) C4'-P energy: -34.108
bonds (distance) P-C4' energy: -31.395
flat angles C4'-P-C4' energy: -29.502
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: 1.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -160.471398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.471398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.471398 (E_RNA)
where:
Base-Base interactions energy: -53.182
where: short stacking energy: -41.892
Base-Backbone interact. energy: -0.179
local terms energy: -107.109804
where:
bonds (distance) C4'-P energy: -36.529
bonds (distance) P-C4' energy: -37.384
flat angles C4'-P-C4' energy: -30.421
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: 13.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -158.881197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.881197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.881197 (E_RNA)
where:
Base-Base interactions energy: -68.118
where: short stacking energy: -52.515
Base-Backbone interact. energy: 1.139
local terms energy: -91.901552
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -29.303
flat angles C4'-P-C4' energy: -25.867
flat angles P-C4'-P energy: -18.279
tors. eta vs tors. theta energy: 1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -142.075062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.075062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.075062 (E_RNA)
where:
Base-Base interactions energy: -49.600
where: short stacking energy: -42.172
Base-Backbone interact. energy: 1.800
local terms energy: -94.274828
where:
bonds (distance) C4'-P energy: -27.530
bonds (distance) P-C4' energy: -34.158
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: 1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -548.159413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.159413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.159413 (E_RNA)
where:
Base-Base interactions energy: -370.915
where: short stacking energy: -156.690
Base-Backbone interact. energy: -0.660
local terms energy: -176.583848
where:
bonds (distance) C4'-P energy: -35.468
bonds (distance) P-C4' energy: -34.991
flat angles C4'-P-C4' energy: -42.164
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -42.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -487.161293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.161293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.161293 (E_RNA)
where:
Base-Base interactions energy: -321.961
where: short stacking energy: -139.672
Base-Backbone interact. energy: 0.034
local terms energy: -165.234461
where:
bonds (distance) C4'-P energy: -30.053
bonds (distance) P-C4' energy: -33.581
flat angles C4'-P-C4' energy: -34.039
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: -44.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -497.328829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.328829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.328829 (E_RNA)
where:
Base-Base interactions energy: -318.683
where: short stacking energy: -161.694
Base-Backbone interact. energy: -0.011
local terms energy: -178.635039
where:
bonds (distance) C4'-P energy: -33.830
bonds (distance) P-C4' energy: -31.583
flat angles C4'-P-C4' energy: -38.184
flat angles P-C4'-P energy: -22.918
tors. eta vs tors. theta energy: -52.119
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: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -436.562096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.562096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.562096 (E_RNA)
where:
Base-Base interactions energy: -273.922
where: short stacking energy: -131.422
Base-Backbone interact. energy: 2.150
local terms energy: -164.790318
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -35.982
flat angles C4'-P-C4' energy: -39.454
flat angles P-C4'-P energy: -23.669
tors. eta vs tors. theta energy: -45.792
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: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -408.111766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.111766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.111766 (E_RNA)
where:
Base-Base interactions energy: -260.181
where: short stacking energy: -112.600
Base-Backbone interact. energy: -0.478
local terms energy: -147.452430
where:
bonds (distance) C4'-P energy: -31.922
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -35.814
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -38.844
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: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -341.084423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.084423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.084423 (E_RNA)
where:
Base-Base interactions energy: -206.337
where: short stacking energy: -90.563
Base-Backbone interact. energy: 0.063
local terms energy: -134.811158
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -37.522
flat angles C4'-P-C4' energy: -30.353
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: -20.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -185.836763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.836763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.836763 (E_RNA)
where:
Base-Base interactions energy: -65.086
where: short stacking energy: -52.522
Base-Backbone interact. energy: -0.644
local terms energy: -120.106452
where:
bonds (distance) C4'-P energy: -33.213
bonds (distance) P-C4' energy: -35.885
flat angles C4'-P-C4' energy: -31.528
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -0.720
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: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -160.621170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.621170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.621170 (E_RNA)
where:
Base-Base interactions energy: -52.011
where: short stacking energy: -45.818
Base-Backbone interact. energy: 2.772
local terms energy: -111.382369
where:
bonds (distance) C4'-P energy: -37.391
bonds (distance) P-C4' energy: -29.789
flat angles C4'-P-C4' energy: -32.027
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: 3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -149.976251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.976251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.976251 (E_RNA)
where:
Base-Base interactions energy: -34.277
where: short stacking energy: -28.585
Base-Backbone interact. energy: 1.283
local terms energy: -116.983171
where:
bonds (distance) C4'-P energy: -36.508
bonds (distance) P-C4' energy: -29.440
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -21.999
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -149.682370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.682370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.682370 (E_RNA)
where:
Base-Base interactions energy: -48.422
where: short stacking energy: -39.751
Base-Backbone interact. energy: 0.494
local terms energy: -101.753720
where:
bonds (distance) C4'-P energy: -32.898
bonds (distance) P-C4' energy: -34.263
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -11.669
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: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -549.523006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.523006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.523006 (E_RNA)
where:
Base-Base interactions energy: -373.740
where: short stacking energy: -161.051
Base-Backbone interact. energy: 1.519
local terms energy: -177.302184
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -33.450
flat angles C4'-P-C4' energy: -39.987
flat angles P-C4'-P energy: -27.161
tors. eta vs tors. theta energy: -49.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -507.090553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.090553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.090553 (E_RNA)
where:
Base-Base interactions energy: -326.833
where: short stacking energy: -158.454
Base-Backbone interact. energy: 1.357
local terms energy: -181.614595
where:
bonds (distance) C4'-P energy: -33.687
bonds (distance) P-C4' energy: -38.578
flat angles C4'-P-C4' energy: -38.404
flat angles P-C4'-P energy: -20.391
tors. eta vs tors. theta energy: -50.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -503.570356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.570356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.570356 (E_RNA)
where:
Base-Base interactions energy: -328.408
where: short stacking energy: -154.499
Base-Backbone interact. energy: -0.054
local terms energy: -175.107638
where:
bonds (distance) C4'-P energy: -35.101
bonds (distance) P-C4' energy: -28.791
flat angles C4'-P-C4' energy: -36.219
flat angles P-C4'-P energy: -25.151
tors. eta vs tors. theta energy: -49.845
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: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -420.386688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.386688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.386688 (E_RNA)
where:
Base-Base interactions energy: -260.644
where: short stacking energy: -130.248
Base-Backbone interact. energy: -2.173
local terms energy: -157.569406
where:
bonds (distance) C4'-P energy: -36.456
bonds (distance) P-C4' energy: -36.257
flat angles C4'-P-C4' energy: -26.289
flat angles P-C4'-P energy: -22.744
tors. eta vs tors. theta energy: -35.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -386.389905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.389905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.389905 (E_RNA)
where:
Base-Base interactions energy: -240.084
where: short stacking energy: -102.572
Base-Backbone interact. energy: -0.384
local terms energy: -145.922462
where:
bonds (distance) C4'-P energy: -34.036
bonds (distance) P-C4' energy: -33.066
flat angles C4'-P-C4' energy: -32.537
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -26.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -381.945674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.945674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.945674 (E_RNA)
where:
Base-Base interactions energy: -233.758
where: short stacking energy: -102.293
Base-Backbone interact. energy: -0.622
local terms energy: -147.564865
where:
bonds (distance) C4'-P energy: -34.974
bonds (distance) P-C4' energy: -30.690
flat angles C4'-P-C4' energy: -30.363
flat angles P-C4'-P energy: -23.569
tors. eta vs tors. theta energy: -27.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -182.220512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.220512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.220512 (E_RNA)
where:
Base-Base interactions energy: -58.283
where: short stacking energy: -55.773
Base-Backbone interact. energy: 1.263
local terms energy: -125.200845
where:
bonds (distance) C4'-P energy: -27.843
bonds (distance) P-C4' energy: -30.234
flat angles C4'-P-C4' energy: -36.068
flat angles P-C4'-P energy: -27.260
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -167.659909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.659909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.659909 (E_RNA)
where:
Base-Base interactions energy: -59.863
where: short stacking energy: -40.081
Base-Backbone interact. energy: -0.396
local terms energy: -107.401005
where:
bonds (distance) C4'-P energy: -30.794
bonds (distance) P-C4' energy: -30.964
flat angles C4'-P-C4' energy: -28.025
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -163.667725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.667725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.667725 (E_RNA)
where:
Base-Base interactions energy: -48.771
where: short stacking energy: -43.841
Base-Backbone interact. energy: 1.185
local terms energy: -116.082020
where:
bonds (distance) C4'-P energy: -25.387
bonds (distance) P-C4' energy: -35.750
flat angles C4'-P-C4' energy: -30.749
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -8.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -144.532869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.532869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.532869 (E_RNA)
where:
Base-Base interactions energy: -53.332
where: short stacking energy: -43.792
Base-Backbone interact. energy: -0.685
local terms energy: -90.516227
where:
bonds (distance) C4'-P energy: -26.363
bonds (distance) P-C4' energy: -29.870
flat angles C4'-P-C4' energy: -32.188
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: 9.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -545.327893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.327893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.327893 (E_RNA)
where:
Base-Base interactions energy: -367.324
where: short stacking energy: -164.643
Base-Backbone interact. energy: -1.053
local terms energy: -176.951129
where:
bonds (distance) C4'-P energy: -31.030
bonds (distance) P-C4' energy: -37.691
flat angles C4'-P-C4' energy: -37.200
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -50.616
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: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -513.151692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.151692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.151692 (E_RNA)
where:
Base-Base interactions energy: -331.687
where: short stacking energy: -160.091
Base-Backbone interact. energy: -0.097
local terms energy: -181.367416
where:
bonds (distance) C4'-P energy: -38.657
bonds (distance) P-C4' energy: -35.599
flat angles C4'-P-C4' energy: -32.620
flat angles P-C4'-P energy: -22.691
tors. eta vs tors. theta energy: -51.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -495.432998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.432998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.432998 (E_RNA)
where:
Base-Base interactions energy: -324.163
where: short stacking energy: -155.620
Base-Backbone interact. energy: -0.885
local terms energy: -170.385111
where:
bonds (distance) C4'-P energy: -35.337
bonds (distance) P-C4' energy: -35.278
flat angles C4'-P-C4' energy: -28.738
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -47.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -401.794368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.794368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.794368 (E_RNA)
where:
Base-Base interactions energy: -257.100
where: short stacking energy: -115.609
Base-Backbone interact. energy: -0.612
local terms energy: -144.082683
where:
bonds (distance) C4'-P energy: -29.019
bonds (distance) P-C4' energy: -33.598
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -31.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -452.569136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.569136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.569136 (E_RNA)
where:
Base-Base interactions energy: -292.052
where: short stacking energy: -120.807
Base-Backbone interact. energy: -0.297
local terms energy: -160.220511
where:
bonds (distance) C4'-P energy: -36.863
bonds (distance) P-C4' energy: -35.605
flat angles C4'-P-C4' energy: -27.065
flat angles P-C4'-P energy: -22.685
tors. eta vs tors. theta energy: -38.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -340.226520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.226520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.226520 (E_RNA)
where:
Base-Base interactions energy: -195.098
where: short stacking energy: -88.204
Base-Backbone interact. energy: 1.895
local terms energy: -147.023317
where:
bonds (distance) C4'-P energy: -37.774
bonds (distance) P-C4' energy: -33.766
flat angles C4'-P-C4' energy: -27.176
flat angles P-C4'-P energy: -28.348
tors. eta vs tors. theta energy: -19.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -183.863069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.863069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.863069 (E_RNA)
where:
Base-Base interactions energy: -57.712
where: short stacking energy: -50.992
Base-Backbone interact. energy: -0.605
local terms energy: -125.545811
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -34.199
flat angles C4'-P-C4' energy: -36.360
flat angles P-C4'-P energy: -23.123
tors. eta vs tors. theta energy: -13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -205.033051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.033051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.033051 (E_RNA)
where:
Base-Base interactions energy: -90.701
where: short stacking energy: -59.875
Base-Backbone interact. energy: -0.845
local terms energy: -113.487444
where:
bonds (distance) C4'-P energy: -28.101
bonds (distance) P-C4' energy: -31.991
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -19.286
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: 9, replica: 2
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -145.731099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.731099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.731099 (E_RNA)
where:
Base-Base interactions energy: -44.617
where: short stacking energy: -35.007
Base-Backbone interact. energy: -0.350
local terms energy: -100.764291
where:
bonds (distance) C4'-P energy: -27.933
bonds (distance) P-C4' energy: -27.506
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -20.929
tors. eta vs tors. theta energy: -1.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -156.079544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.079544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.079544 (E_RNA)
where:
Base-Base interactions energy: -49.715
where: short stacking energy: -33.785
Base-Backbone interact. energy: -0.038
local terms energy: -106.326453
where:
bonds (distance) C4'-P energy: -26.537
bonds (distance) P-C4' energy: -31.930
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -539.881486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.881486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.881486 (E_RNA)
where:
Base-Base interactions energy: -350.181
where: short stacking energy: -151.907
Base-Backbone interact. energy: -1.208
local terms energy: -188.492294
where:
bonds (distance) C4'-P energy: -35.500
bonds (distance) P-C4' energy: -39.104
flat angles C4'-P-C4' energy: -37.117
flat angles P-C4'-P energy: -28.340
tors. eta vs tors. theta energy: -48.432
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: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -491.661712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.661712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.661712 (E_RNA)
where:
Base-Base interactions energy: -330.420
where: short stacking energy: -144.728
Base-Backbone interact. energy: -2.162
local terms energy: -159.079555
where:
bonds (distance) C4'-P energy: -26.493
bonds (distance) P-C4' energy: -33.057
flat angles C4'-P-C4' energy: -34.568
flat angles P-C4'-P energy: -21.834
tors. eta vs tors. theta energy: -43.127
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: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -482.581311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.581311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.581311 (E_RNA)
where:
Base-Base interactions energy: -296.202
where: short stacking energy: -149.825
Base-Backbone interact. energy: -0.102
local terms energy: -186.276883
where:
bonds (distance) C4'-P energy: -34.377
bonds (distance) P-C4' energy: -37.584
flat angles C4'-P-C4' energy: -32.761
flat angles P-C4'-P energy: -29.051
tors. eta vs tors. theta energy: -52.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -445.481507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.481507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.481507 (E_RNA)
where:
Base-Base interactions energy: -274.742
where: short stacking energy: -125.860
Base-Backbone interact. energy: 0.001
local terms energy: -170.741043
where:
bonds (distance) C4'-P energy: -33.438
bonds (distance) P-C4' energy: -37.691
flat angles C4'-P-C4' energy: -34.868
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -43.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -416.799253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.799253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.799253 (E_RNA)
where:
Base-Base interactions energy: -271.818
where: short stacking energy: -122.781
Base-Backbone interact. energy: -0.789
local terms energy: -144.192443
where:
bonds (distance) C4'-P energy: -30.931
bonds (distance) P-C4' energy: -30.184
flat angles C4'-P-C4' energy: -35.903
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -31.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -308.686172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.686172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.686172 (E_RNA)
where:
Base-Base interactions energy: -174.518
where: short stacking energy: -83.773
Base-Backbone interact. energy: -0.698
local terms energy: -133.469778
where:
bonds (distance) C4'-P energy: -34.860
bonds (distance) P-C4' energy: -38.211
flat angles C4'-P-C4' energy: -30.958
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -204.356289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.356289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.356289 (E_RNA)
where:
Base-Base interactions energy: -84.398
where: short stacking energy: -57.710
Base-Backbone interact. energy: -1.271
local terms energy: -118.687605
where:
bonds (distance) C4'-P energy: -33.322
bonds (distance) P-C4' energy: -31.222
flat angles C4'-P-C4' energy: -26.890
flat angles P-C4'-P energy: -26.712
tors. eta vs tors. theta energy: -0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -164.400933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.400933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.400933 (E_RNA)
where:
Base-Base interactions energy: -60.579
where: short stacking energy: -50.804
Base-Backbone interact. energy: -1.252
local terms energy: -102.570132
where:
bonds (distance) C4'-P energy: -30.268
bonds (distance) P-C4' energy: -35.626
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -20.007
tors. eta vs tors. theta energy: 3.504
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: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -166.848897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.848897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.848897 (E_RNA)
where:
Base-Base interactions energy: -46.661
where: short stacking energy: -46.661
Base-Backbone interact. energy: -0.797
local terms energy: -119.390121
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -38.423
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -9.871
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: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -148.359884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.359884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.359884 (E_RNA)
where:
Base-Base interactions energy: -36.688
where: short stacking energy: -26.848
Base-Backbone interact. energy: -0.287
local terms energy: -111.385407
where:
bonds (distance) C4'-P energy: -32.852
bonds (distance) P-C4' energy: -32.476
flat angles C4'-P-C4' energy: -29.333
flat angles P-C4'-P energy: -22.033
tors. eta vs tors. theta energy: 5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -540.338615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.338615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.338615 (E_RNA)
where:
Base-Base interactions energy: -355.967
where: short stacking energy: -167.075
Base-Backbone interact. energy: -0.436
local terms energy: -183.935333
where:
bonds (distance) C4'-P energy: -35.613
bonds (distance) P-C4' energy: -37.137
flat angles C4'-P-C4' energy: -38.459
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -50.582
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: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -521.225604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.225604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.225604 (E_RNA)
where:
Base-Base interactions energy: -350.477
where: short stacking energy: -161.039
Base-Backbone interact. energy: -0.185
local terms energy: -170.563731
where:
bonds (distance) C4'-P energy: -26.839
bonds (distance) P-C4' energy: -34.187
flat angles C4'-P-C4' energy: -32.063
flat angles P-C4'-P energy: -25.522
tors. eta vs tors. theta energy: -51.953
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: 3, replica: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -443.775785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.775785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.775785 (E_RNA)
where:
Base-Base interactions energy: -289.912
where: short stacking energy: -137.131
Base-Backbone interact. energy: 1.311
local terms energy: -155.175628
where:
bonds (distance) C4'-P energy: -28.887
bonds (distance) P-C4' energy: -28.825
flat angles C4'-P-C4' energy: -34.725
flat angles P-C4'-P energy: -25.712
tors. eta vs tors. theta energy: -37.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -467.690236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.690236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.690236 (E_RNA)
where:
Base-Base interactions energy: -305.992
where: short stacking energy: -149.728
Base-Backbone interact. energy: -0.144
local terms energy: -161.554013
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -30.921
flat angles C4'-P-C4' energy: -34.674
flat angles P-C4'-P energy: -24.204
tors. eta vs tors. theta energy: -47.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -384.994213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.994213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.994213 (E_RNA)
where:
Base-Base interactions energy: -231.095
where: short stacking energy: -111.369
Base-Backbone interact. energy: -1.746
local terms energy: -152.153893
where:
bonds (distance) C4'-P energy: -30.076
bonds (distance) P-C4' energy: -37.109
flat angles C4'-P-C4' energy: -37.844
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -30.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -316.818941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.818941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.818941 (E_RNA)
where:
Base-Base interactions energy: -176.766
where: short stacking energy: -82.790
Base-Backbone interact. energy: -0.943
local terms energy: -139.110246
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -36.204
flat angles C4'-P-C4' energy: -28.352
flat angles P-C4'-P energy: -26.275
tors. eta vs tors. theta energy: -21.473
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: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -167.253176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.253176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.253176 (E_RNA)
where:
Base-Base interactions energy: -59.087
where: short stacking energy: -51.029
Base-Backbone interact. energy: 3.518
local terms energy: -111.683714
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -35.229
flat angles C4'-P-C4' energy: -24.776
flat angles P-C4'-P energy: -21.721
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -155.381201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.381201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.381201 (E_RNA)
where:
Base-Base interactions energy: -53.578
where: short stacking energy: -38.654
Base-Backbone interact. energy: -0.669
local terms energy: -101.134240
where:
bonds (distance) C4'-P energy: -35.722
bonds (distance) P-C4' energy: -25.811
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: 2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -144.672570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.672570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.672570 (E_RNA)
where:
Base-Base interactions energy: -50.297
where: short stacking energy: -36.071
Base-Backbone interact. energy: -0.318
local terms energy: -94.057935
where:
bonds (distance) C4'-P energy: -31.453
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -29.061
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: 5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -163.574375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.574375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.574375 (E_RNA)
where:
Base-Base interactions energy: -74.713
where: short stacking energy: -35.579
Base-Backbone interact. energy: 0.504
local terms energy: -89.365581
where:
bonds (distance) C4'-P energy: -24.835
bonds (distance) P-C4' energy: -28.633
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: 2.717
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: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -551.562716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.562716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.562716 (E_RNA)
where:
Base-Base interactions energy: -371.983
where: short stacking energy: -168.235
Base-Backbone interact. energy: -0.760
local terms energy: -178.818921
where:
bonds (distance) C4'-P energy: -35.896
bonds (distance) P-C4' energy: -29.452
flat angles C4'-P-C4' energy: -36.213
flat angles P-C4'-P energy: -29.906
tors. eta vs tors. theta energy: -47.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -509.174635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.174635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.174635 (E_RNA)
where:
Base-Base interactions energy: -336.177
where: short stacking energy: -162.997
Base-Backbone interact. energy: -0.684
local terms energy: -172.313908
where:
bonds (distance) C4'-P energy: -37.393
bonds (distance) P-C4' energy: -34.908
flat angles C4'-P-C4' energy: -35.372
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -45.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -465.006751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.006751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.006751 (E_RNA)
where:
Base-Base interactions energy: -297.953
where: short stacking energy: -141.074
Base-Backbone interact. energy: -0.421
local terms energy: -166.632518
where:
bonds (distance) C4'-P energy: -26.436
bonds (distance) P-C4' energy: -35.020
flat angles C4'-P-C4' energy: -34.071
flat angles P-C4'-P energy: -26.656
tors. eta vs tors. theta energy: -44.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -465.509035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.509035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.509035 (E_RNA)
where:
Base-Base interactions energy: -292.480
where: short stacking energy: -146.625
Base-Backbone interact. energy: -0.658
local terms energy: -172.370139
where:
bonds (distance) C4'-P energy: -28.489
bonds (distance) P-C4' energy: -33.986
flat angles C4'-P-C4' energy: -33.761
flat angles P-C4'-P energy: -23.821
tors. eta vs tors. theta energy: -52.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -420.110359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.110359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.110359 (E_RNA)
where:
Base-Base interactions energy: -258.927
where: short stacking energy: -132.391
Base-Backbone interact. energy: -0.111
local terms energy: -161.072204
where:
bonds (distance) C4'-P energy: -28.404
bonds (distance) P-C4' energy: -36.351
flat angles C4'-P-C4' energy: -36.881
flat angles P-C4'-P energy: -22.616
tors. eta vs tors. theta energy: -36.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -351.625653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.625653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.625653 (E_RNA)
where:
Base-Base interactions energy: -222.684
where: short stacking energy: -91.724
Base-Backbone interact. energy: 0.542
local terms energy: -129.484198
where:
bonds (distance) C4'-P energy: -29.193
bonds (distance) P-C4' energy: -32.544
flat angles C4'-P-C4' energy: -25.776
flat angles P-C4'-P energy: -25.613
tors. eta vs tors. theta energy: -16.358
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: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -182.974481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.974481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.974481 (E_RNA)
where:
Base-Base interactions energy: -64.597
where: short stacking energy: -56.901
Base-Backbone interact. energy: 1.787
local terms energy: -120.164250
where:
bonds (distance) C4'-P energy: -25.830
bonds (distance) P-C4' energy: -33.392
flat angles C4'-P-C4' energy: -39.641
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -172.152029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.152029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.152029 (E_RNA)
where:
Base-Base interactions energy: -53.738
where: short stacking energy: -38.702
Base-Backbone interact. energy: -0.212
local terms energy: -118.201755
where:
bonds (distance) C4'-P energy: -37.344
bonds (distance) P-C4' energy: -35.871
flat angles C4'-P-C4' energy: -26.888
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -146.864948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.864948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.864948 (E_RNA)
where:
Base-Base interactions energy: -48.520
where: short stacking energy: -39.784
Base-Backbone interact. energy: -1.357
local terms energy: -96.987690
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -35.854
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: 2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -155.194788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.194788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.194788 (E_RNA)
where:
Base-Base interactions energy: -53.916
where: short stacking energy: -44.368
Base-Backbone interact. energy: -1.000
local terms energy: -100.278544
where:
bonds (distance) C4'-P energy: -31.233
bonds (distance) P-C4' energy: -30.895
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: 3.720
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: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -560.010201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.010201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.010201 (E_RNA)
where:
Base-Base interactions energy: -370.095
where: short stacking energy: -163.458
Base-Backbone interact. energy: -0.360
local terms energy: -189.555125
where:
bonds (distance) C4'-P energy: -33.723
bonds (distance) P-C4' energy: -33.829
flat angles C4'-P-C4' energy: -40.369
flat angles P-C4'-P energy: -32.772
tors. eta vs tors. theta energy: -48.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -519.888849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.888849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.888849 (E_RNA)
where:
Base-Base interactions energy: -330.826
where: short stacking energy: -152.326
Base-Backbone interact. energy: 0.666
local terms energy: -189.728575
where:
bonds (distance) C4'-P energy: -37.619
bonds (distance) P-C4' energy: -32.136
flat angles C4'-P-C4' energy: -43.459
flat angles P-C4'-P energy: -25.355
tors. eta vs tors. theta energy: -51.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -501.214117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.214117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.214117 (E_RNA)
where:
Base-Base interactions energy: -309.807
where: short stacking energy: -154.418
Base-Backbone interact. energy: -0.787
local terms energy: -190.620514
where:
bonds (distance) C4'-P energy: -35.793
bonds (distance) P-C4' energy: -36.537
flat angles C4'-P-C4' energy: -44.124
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -53.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -439.153823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.153823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.153823 (E_RNA)
where:
Base-Base interactions energy: -281.591
where: short stacking energy: -133.888
Base-Backbone interact. energy: -0.927
local terms energy: -156.636161
where:
bonds (distance) C4'-P energy: -29.607
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -34.449
flat angles P-C4'-P energy: -24.573
tors. eta vs tors. theta energy: -42.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -417.621501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.621501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.621501 (E_RNA)
where:
Base-Base interactions energy: -269.754
where: short stacking energy: -117.588
Base-Backbone interact. energy: -0.147
local terms energy: -147.720232
where:
bonds (distance) C4'-P energy: -30.459
bonds (distance) P-C4' energy: -34.636
flat angles C4'-P-C4' energy: -29.666
flat angles P-C4'-P energy: -23.276
tors. eta vs tors. theta energy: -29.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -358.428379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.428379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.428379 (E_RNA)
where:
Base-Base interactions energy: -222.941
where: short stacking energy: -113.747
Base-Backbone interact. energy: -0.318
local terms energy: -135.169215
where:
bonds (distance) C4'-P energy: -27.951
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -28.049
flat angles P-C4'-P energy: -26.301
tors. eta vs tors. theta energy: -29.016
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: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -211.845483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.845483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.845483 (E_RNA)
where:
Base-Base interactions energy: -87.361
where: short stacking energy: -60.947
Base-Backbone interact. energy: 0.542
local terms energy: -125.025747
where:
bonds (distance) C4'-P energy: -30.224
bonds (distance) P-C4' energy: -36.850
flat angles C4'-P-C4' energy: -28.730
flat angles P-C4'-P energy: -24.787
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -211.276470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.276470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.276470 (E_RNA)
where:
Base-Base interactions energy: -97.158
where: short stacking energy: -58.437
Base-Backbone interact. energy: -0.558
local terms energy: -113.560514
where:
bonds (distance) C4'-P energy: -33.440
bonds (distance) P-C4' energy: -36.537
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -17.293
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: 9, replica: 2
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -156.487995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.487995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.487995 (E_RNA)
where:
Base-Base interactions energy: -50.595
where: short stacking energy: -49.739
Base-Backbone interact. energy: -1.151
local terms energy: -104.742077
where:
bonds (distance) C4'-P energy: -30.498
bonds (distance) P-C4' energy: -30.251
flat angles C4'-P-C4' energy: -29.346
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -3.407
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: 5
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -153.219155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.219155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.219155 (E_RNA)
where:
Base-Base interactions energy: -48.552
where: short stacking energy: -38.037
Base-Backbone interact. energy: 2.188
local terms energy: -106.855020
where:
bonds (distance) C4'-P energy: -31.333
bonds (distance) P-C4' energy: -28.725
flat angles C4'-P-C4' energy: -29.004
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -6.060
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: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -548.069092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.069092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.069092 (E_RNA)
where:
Base-Base interactions energy: -365.355
where: short stacking energy: -160.829
Base-Backbone interact. energy: -1.054
local terms energy: -181.660065
where:
bonds (distance) C4'-P energy: -35.371
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -34.028
flat angles P-C4'-P energy: -29.597
tors. eta vs tors. theta energy: -46.329
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: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -510.469677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.469677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.469677 (E_RNA)
where:
Base-Base interactions energy: -335.155
where: short stacking energy: -154.647
Base-Backbone interact. energy: -1.370
local terms energy: -173.944563
where:
bonds (distance) C4'-P energy: -34.148
bonds (distance) P-C4' energy: -28.941
flat angles C4'-P-C4' energy: -32.614
flat angles P-C4'-P energy: -27.816
tors. eta vs tors. theta energy: -50.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -495.694587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.694587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.694587 (E_RNA)
where:
Base-Base interactions energy: -320.503
where: short stacking energy: -159.769
Base-Backbone interact. energy: 0.980
local terms energy: -176.171688
where:
bonds (distance) C4'-P energy: -29.416
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -41.344
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -52.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -416.574116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.574116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.574116 (E_RNA)
where:
Base-Base interactions energy: -271.843
where: short stacking energy: -111.764
Base-Backbone interact. energy: -0.903
local terms energy: -143.828196
where:
bonds (distance) C4'-P energy: -31.714
bonds (distance) P-C4' energy: -28.069
flat angles C4'-P-C4' energy: -34.660
flat angles P-C4'-P energy: -23.733
tors. eta vs tors. theta energy: -25.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -414.960428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.960428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.960428 (E_RNA)
where:
Base-Base interactions energy: -251.001
where: short stacking energy: -105.065
Base-Backbone interact. energy: -0.426
local terms energy: -163.533851
where:
bonds (distance) C4'-P energy: -29.715
bonds (distance) P-C4' energy: -35.297
flat angles C4'-P-C4' energy: -33.167
flat angles P-C4'-P energy: -25.834
tors. eta vs tors. theta energy: -39.520
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: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -360.257129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.257129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.257129 (E_RNA)
where:
Base-Base interactions energy: -225.337
where: short stacking energy: -98.476
Base-Backbone interact. energy: -1.742
local terms energy: -133.178422
where:
bonds (distance) C4'-P energy: -26.480
bonds (distance) P-C4' energy: -27.504
flat angles C4'-P-C4' energy: -29.232
flat angles P-C4'-P energy: -29.921
tors. eta vs tors. theta energy: -20.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -212.310688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.310688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.310688 (E_RNA)
where:
Base-Base interactions energy: -96.441
where: short stacking energy: -46.921
Base-Backbone interact. energy: -0.351
local terms energy: -115.518096
where:
bonds (distance) C4'-P energy: -28.953
bonds (distance) P-C4' energy: -38.529
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -21.188
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -165.187464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.187464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.187464 (E_RNA)
where:
Base-Base interactions energy: -44.084
where: short stacking energy: -43.928
Base-Backbone interact. energy: 0.154
local terms energy: -121.257635
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -34.560
flat angles C4'-P-C4' energy: -34.201
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -5.788
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: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -147.827662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.827662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.827662 (E_RNA)
where:
Base-Base interactions energy: -43.083
where: short stacking energy: -35.846
Base-Backbone interact. energy: 0.362
local terms energy: -105.105921
where:
bonds (distance) C4'-P energy: -32.008
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -31.221
flat angles P-C4'-P energy: -22.807
tors. eta vs tors. theta energy: 4.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -157.913814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.913814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.913814 (E_RNA)
where:
Base-Base interactions energy: -56.448
where: short stacking energy: -52.614
Base-Backbone interact. energy: -0.160
local terms energy: -101.306337
where:
bonds (distance) C4'-P energy: -24.236
bonds (distance) P-C4' energy: -31.205
flat angles C4'-P-C4' energy: -32.993
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: 1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -544.118501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.118501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.118501 (E_RNA)
where:
Base-Base interactions energy: -355.098
where: short stacking energy: -155.127
Base-Backbone interact. energy: 1.518
local terms energy: -190.538680
where:
bonds (distance) C4'-P energy: -35.697
bonds (distance) P-C4' energy: -38.743
flat angles C4'-P-C4' energy: -36.181
flat angles P-C4'-P energy: -29.959
tors. eta vs tors. theta energy: -49.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -526.651239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.651239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.651239 (E_RNA)
where:
Base-Base interactions energy: -348.587
where: short stacking energy: -164.285
Base-Backbone interact. energy: -0.415
local terms energy: -177.649861
where:
bonds (distance) C4'-P energy: -29.294
bonds (distance) P-C4' energy: -35.532
flat angles C4'-P-C4' energy: -36.954
flat angles P-C4'-P energy: -28.298
tors. eta vs tors. theta energy: -47.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -484.812065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.812065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.812065 (E_RNA)
where:
Base-Base interactions energy: -310.763
where: short stacking energy: -159.512
Base-Backbone interact. energy: -0.025
local terms energy: -174.024212
where:
bonds (distance) C4'-P energy: -35.098
bonds (distance) P-C4' energy: -24.884
flat angles C4'-P-C4' energy: -36.434
flat angles P-C4'-P energy: -27.099
tors. eta vs tors. theta energy: -50.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -419.091843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.091843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.091843 (E_RNA)
where:
Base-Base interactions energy: -252.144
where: short stacking energy: -110.740
Base-Backbone interact. energy: -2.201
local terms energy: -164.746897
where:
bonds (distance) C4'-P energy: -32.130
bonds (distance) P-C4' energy: -42.213
flat angles C4'-P-C4' energy: -35.401
flat angles P-C4'-P energy: -25.143
tors. eta vs tors. theta energy: -29.860
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: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -383.249045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.249045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.249045 (E_RNA)
where:
Base-Base interactions energy: -245.467
where: short stacking energy: -98.315
Base-Backbone interact. energy: -0.846
local terms energy: -136.935665
where:
bonds (distance) C4'-P energy: -26.763
bonds (distance) P-C4' energy: -31.421
flat angles C4'-P-C4' energy: -35.187
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -21.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -399.067463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.067463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.067463 (E_RNA)
where:
Base-Base interactions energy: -255.046
where: short stacking energy: -100.469
Base-Backbone interact. energy: -1.294
local terms energy: -142.727452
where:
bonds (distance) C4'-P energy: -31.673
bonds (distance) P-C4' energy: -27.798
flat angles C4'-P-C4' energy: -30.895
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -30.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -192.790086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.790086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.790086 (E_RNA)
where:
Base-Base interactions energy: -76.438
where: short stacking energy: -42.716
Base-Backbone interact. energy: -1.052
local terms energy: -115.299767
where:
bonds (distance) C4'-P energy: -27.680
bonds (distance) P-C4' energy: -35.468
flat angles C4'-P-C4' energy: -28.020
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -5.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -166.263860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.263860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.263860 (E_RNA)
where:
Base-Base interactions energy: -58.919
where: short stacking energy: -48.332
Base-Backbone interact. energy: 1.338
local terms energy: -108.683221
where:
bonds (distance) C4'-P energy: -27.279
bonds (distance) P-C4' energy: -35.249
flat angles C4'-P-C4' energy: -27.529
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -164.185608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.185608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.185608 (E_RNA)
where:
Base-Base interactions energy: -57.652
where: short stacking energy: -40.815
Base-Backbone interact. energy: -0.802
local terms energy: -105.730927
where:
bonds (distance) C4'-P energy: -34.961
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -25.497
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -173.735864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.735864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.735864 (E_RNA)
where:
Base-Base interactions energy: -62.419
where: short stacking energy: -53.645
Base-Backbone interact. energy: 0.474
local terms energy: -111.789940
where:
bonds (distance) C4'-P energy: -30.514
bonds (distance) P-C4' energy: -30.658
flat angles C4'-P-C4' energy: -24.503
flat angles P-C4'-P energy: -17.328
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: 1, replica: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -550.992153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.992153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.992153 (E_RNA)
where:
Base-Base interactions energy: -372.953
where: short stacking energy: -155.006
Base-Backbone interact. energy: 0.299
local terms energy: -178.338208
where:
bonds (distance) C4'-P energy: -32.081
bonds (distance) P-C4' energy: -29.999
flat angles C4'-P-C4' energy: -38.927
flat angles P-C4'-P energy: -33.315
tors. eta vs tors. theta energy: -44.017
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: 6
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -507.515184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.515184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.515184 (E_RNA)
where:
Base-Base interactions energy: -321.833
where: short stacking energy: -152.028
Base-Backbone interact. energy: 1.324
local terms energy: -187.006206
where:
bonds (distance) C4'-P energy: -30.088
bonds (distance) P-C4' energy: -33.364
flat angles C4'-P-C4' energy: -45.183
flat angles P-C4'-P energy: -27.559
tors. eta vs tors. theta energy: -50.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -493.806590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.806590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.806590 (E_RNA)
where:
Base-Base interactions energy: -326.830
where: short stacking energy: -152.115
Base-Backbone interact. energy: -0.040
local terms energy: -166.936229
where:
bonds (distance) C4'-P energy: -23.600
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -36.839
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -51.322
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: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -419.981645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.981645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.981645 (E_RNA)
where:
Base-Base interactions energy: -257.463
where: short stacking energy: -115.142
Base-Backbone interact. energy: -1.192
local terms energy: -161.326516
where:
bonds (distance) C4'-P energy: -32.280
bonds (distance) P-C4' energy: -38.527
flat angles C4'-P-C4' energy: -34.130
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -32.794
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: 271
Temperature: 1.100000
Total energy: -378.146182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.146182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.146182 (E_RNA)
where:
Base-Base interactions energy: -236.416
where: short stacking energy: -108.652
Base-Backbone interact. energy: -0.857
local terms energy: -140.873172
where:
bonds (distance) C4'-P energy: -35.563
bonds (distance) P-C4' energy: -33.976
flat angles C4'-P-C4' energy: -28.714
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -29.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -370.585849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.585849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.585849 (E_RNA)
where:
Base-Base interactions energy: -227.765
where: short stacking energy: -119.810
Base-Backbone interact. energy: -0.314
local terms energy: -142.507023
where:
bonds (distance) C4'-P energy: -31.162
bonds (distance) P-C4' energy: -34.286
flat angles C4'-P-C4' energy: -32.240
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -32.132
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: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -180.437418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.437418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.437418 (E_RNA)
where:
Base-Base interactions energy: -73.514
where: short stacking energy: -40.035
Base-Backbone interact. energy: -1.473
local terms energy: -105.449535
where:
bonds (distance) C4'-P energy: -36.122
bonds (distance) P-C4' energy: -32.647
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: 2.672
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: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -187.918311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.918311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.918311 (E_RNA)
where:
Base-Base interactions energy: -87.030
where: short stacking energy: -37.227
Base-Backbone interact. energy: 0.479
local terms energy: -101.368146
where:
bonds (distance) C4'-P energy: -33.105
bonds (distance) P-C4' energy: -32.345
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: 0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -168.046581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.046581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.046581 (E_RNA)
where:
Base-Base interactions energy: -61.196
where: short stacking energy: -59.419
Base-Backbone interact. energy: -0.169
local terms energy: -106.681362
where:
bonds (distance) C4'-P energy: -25.818
bonds (distance) P-C4' energy: -33.483
flat angles C4'-P-C4' energy: -28.335
flat angles P-C4'-P energy: -13.923
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: 10, replica: 5
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -145.280935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.280935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.280935 (E_RNA)
where:
Base-Base interactions energy: -43.405
where: short stacking energy: -30.038
Base-Backbone interact. energy: -0.401
local terms energy: -101.474994
where:
bonds (distance) C4'-P energy: -25.956
bonds (distance) P-C4' energy: -29.295
flat angles C4'-P-C4' energy: -30.042
flat angles P-C4'-P energy: -18.096
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: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -539.651148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.651148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.651148 (E_RNA)
where:
Base-Base interactions energy: -360.932
where: short stacking energy: -155.429
Base-Backbone interact. energy: -0.420
local terms energy: -178.299062
where:
bonds (distance) C4'-P energy: -37.787
bonds (distance) P-C4' energy: -28.651
flat angles C4'-P-C4' energy: -40.845
flat angles P-C4'-P energy: -25.055
tors. eta vs tors. theta energy: -45.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -529.553747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.553747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.553747 (E_RNA)
where:
Base-Base interactions energy: -345.982
where: short stacking energy: -166.439
Base-Backbone interact. energy: -0.975
local terms energy: -182.597048
where:
bonds (distance) C4'-P energy: -35.169
bonds (distance) P-C4' energy: -28.324
flat angles C4'-P-C4' energy: -38.245
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -57.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -522.616060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.616060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.616060 (E_RNA)
where:
Base-Base interactions energy: -340.889
where: short stacking energy: -158.889
Base-Backbone interact. energy: -0.635
local terms energy: -181.091980
where:
bonds (distance) C4'-P energy: -30.322
bonds (distance) P-C4' energy: -32.185
flat angles C4'-P-C4' energy: -39.617
flat angles P-C4'-P energy: -26.937
tors. eta vs tors. theta energy: -52.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -433.682632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.682632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.682632 (E_RNA)
where:
Base-Base interactions energy: -280.254
where: short stacking energy: -109.287
Base-Backbone interact. energy: -0.056
local terms energy: -153.372536
where:
bonds (distance) C4'-P energy: -33.623
bonds (distance) P-C4' energy: -29.324
flat angles C4'-P-C4' energy: -37.639
flat angles P-C4'-P energy: -31.481
tors. eta vs tors. theta energy: -21.306
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: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -379.042460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.042460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.042460 (E_RNA)
where:
Base-Base interactions energy: -234.305
where: short stacking energy: -121.653
Base-Backbone interact. energy: -1.306
local terms energy: -143.431503
where:
bonds (distance) C4'-P energy: -32.170
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -36.612
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -29.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -348.826274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.826274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.826274 (E_RNA)
where:
Base-Base interactions energy: -211.733
where: short stacking energy: -104.144
Base-Backbone interact. energy: -0.653
local terms energy: -136.440243
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -37.220
flat angles C4'-P-C4' energy: -31.967
flat angles P-C4'-P energy: -20.884
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: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -174.863779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.863779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.863779 (E_RNA)
where:
Base-Base interactions energy: -78.251
where: short stacking energy: -53.115
Base-Backbone interact. energy: -0.543
local terms energy: -96.069726
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -30.552
flat angles C4'-P-C4' energy: -33.097
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: 2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -183.637168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.637168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.637168 (E_RNA)
where:
Base-Base interactions energy: -88.452
where: short stacking energy: -44.171
Base-Backbone interact. energy: 0.360
local terms energy: -95.544981
where:
bonds (distance) C4'-P energy: -41.132
bonds (distance) P-C4' energy: -31.881
flat angles C4'-P-C4' energy: -9.868
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: 6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -161.047073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.047073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.047073 (E_RNA)
where:
Base-Base interactions energy: -65.354
where: short stacking energy: -36.574
Base-Backbone interact. energy: -0.139
local terms energy: -95.554018
where:
bonds (distance) C4'-P energy: -26.642
bonds (distance) P-C4' energy: -31.400
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: 3.662
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: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -151.904700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.904700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.904700 (E_RNA)
where:
Base-Base interactions energy: -48.945
where: short stacking energy: -48.536
Base-Backbone interact. energy: -1.207
local terms energy: -101.752942
where:
bonds (distance) C4'-P energy: -30.424
bonds (distance) P-C4' energy: -25.313
flat angles C4'-P-C4' energy: -27.378
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -530.162113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.162113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.162113 (E_RNA)
where:
Base-Base interactions energy: -363.639
where: short stacking energy: -159.174
Base-Backbone interact. energy: 1.843
local terms energy: -168.365753
where:
bonds (distance) C4'-P energy: -29.594
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -35.160
flat angles P-C4'-P energy: -25.402
tors. eta vs tors. theta energy: -43.481
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: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -530.508786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.508786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.508786 (E_RNA)
where:
Base-Base interactions energy: -334.676
where: short stacking energy: -160.597
Base-Backbone interact. energy: -0.330
local terms energy: -195.502334
where:
bonds (distance) C4'-P energy: -37.513
bonds (distance) P-C4' energy: -37.855
flat angles C4'-P-C4' energy: -40.516
flat angles P-C4'-P energy: -27.292
tors. eta vs tors. theta energy: -52.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -505.637601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.637601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.637601 (E_RNA)
where:
Base-Base interactions energy: -326.200
where: short stacking energy: -156.438
Base-Backbone interact. energy: -0.540
local terms energy: -178.897450
where:
bonds (distance) C4'-P energy: -33.631
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -38.448
flat angles P-C4'-P energy: -22.450
tors. eta vs tors. theta energy: -51.482
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: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -419.704216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.704216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.704216 (E_RNA)
where:
Base-Base interactions energy: -270.223
where: short stacking energy: -105.983
Base-Backbone interact. energy: -0.414
local terms energy: -149.067264
where:
bonds (distance) C4'-P energy: -40.868
bonds (distance) P-C4' energy: -38.202
flat angles C4'-P-C4' energy: -32.976
flat angles P-C4'-P energy: -19.721
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -361.844500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.844500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.844500 (E_RNA)
where:
Base-Base interactions energy: -206.635
where: short stacking energy: -101.067
Base-Backbone interact. energy: -0.399
local terms energy: -154.811351
where:
bonds (distance) C4'-P energy: -32.608
bonds (distance) P-C4' energy: -32.244
flat angles C4'-P-C4' energy: -35.613
flat angles P-C4'-P energy: -25.119
tors. eta vs tors. theta energy: -29.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -365.219878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.219878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.219878 (E_RNA)
where:
Base-Base interactions energy: -223.502
where: short stacking energy: -92.963
Base-Backbone interact. energy: 1.323
local terms energy: -143.040909
where:
bonds (distance) C4'-P energy: -36.537
bonds (distance) P-C4' energy: -34.317
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -24.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -173.068558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.068558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.068558 (E_RNA)
where:
Base-Base interactions energy: -51.806
where: short stacking energy: -45.391
Base-Backbone interact. energy: -0.649
local terms energy: -120.613608
where:
bonds (distance) C4'-P energy: -28.378
bonds (distance) P-C4' energy: -38.385
flat angles C4'-P-C4' energy: -28.416
flat angles P-C4'-P energy: -21.007
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -159.853429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.853429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.853429 (E_RNA)
where:
Base-Base interactions energy: -58.095
where: short stacking energy: -42.240
Base-Backbone interact. energy: -0.066
local terms energy: -101.692080
where:
bonds (distance) C4'-P energy: -33.510
bonds (distance) P-C4' energy: -27.646
flat angles C4'-P-C4' energy: -31.223
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -2.032
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: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -163.233571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.233571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.233571 (E_RNA)
where:
Base-Base interactions energy: -69.807
where: short stacking energy: -52.977
Base-Backbone interact. energy: -0.740
local terms energy: -92.687160
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -24.966
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -154.940332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.940332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.940332 (E_RNA)
where:
Base-Base interactions energy: -53.468
where: short stacking energy: -53.468
Base-Backbone interact. energy: -1.065
local terms energy: -100.407992
where:
bonds (distance) C4'-P energy: -27.584
bonds (distance) P-C4' energy: -29.832
flat angles C4'-P-C4' energy: -24.564
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: 0.149
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: 274
Temperature: 0.900000
Total energy: -552.751727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.751727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.751727 (E_RNA)
where:
Base-Base interactions energy: -358.452
where: short stacking energy: -177.281
Base-Backbone interact. energy: 1.968
local terms energy: -196.267776
where:
bonds (distance) C4'-P energy: -37.142
bonds (distance) P-C4' energy: -38.001
flat angles C4'-P-C4' energy: -37.716
flat angles P-C4'-P energy: -25.895
tors. eta vs tors. theta energy: -57.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -525.470606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.470606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.470606 (E_RNA)
where:
Base-Base interactions energy: -357.591
where: short stacking energy: -156.506
Base-Backbone interact. energy: -0.444
local terms energy: -167.435876
where:
bonds (distance) C4'-P energy: -34.564
bonds (distance) P-C4' energy: -32.118
flat angles C4'-P-C4' energy: -34.128
flat angles P-C4'-P energy: -23.227
tors. eta vs tors. theta energy: -43.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -522.571996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.571996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.571996 (E_RNA)
where:
Base-Base interactions energy: -348.799
where: short stacking energy: -163.388
Base-Backbone interact. energy: -0.672
local terms energy: -173.100838
where:
bonds (distance) C4'-P energy: -39.944
bonds (distance) P-C4' energy: -30.709
flat angles C4'-P-C4' energy: -35.389
flat angles P-C4'-P energy: -17.062
tors. eta vs tors. theta energy: -49.996
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: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -463.883446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.883446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.883446 (E_RNA)
where:
Base-Base interactions energy: -313.219
where: short stacking energy: -136.155
Base-Backbone interact. energy: -0.606
local terms energy: -150.058367
where:
bonds (distance) C4'-P energy: -25.026
bonds (distance) P-C4' energy: -28.865
flat angles C4'-P-C4' energy: -31.446
flat angles P-C4'-P energy: -25.322
tors. eta vs tors. theta energy: -39.400
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: 10
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -405.842053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.842053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.842053 (E_RNA)
where:
Base-Base interactions energy: -271.501
where: short stacking energy: -115.025
Base-Backbone interact. energy: 3.966
local terms energy: -138.307294
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -28.547
flat angles C4'-P-C4' energy: -37.006
flat angles P-C4'-P energy: -21.093
tors. eta vs tors. theta energy: -27.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -363.033850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.033850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.033850 (E_RNA)
where:
Base-Base interactions energy: -241.054
where: short stacking energy: -100.923
Base-Backbone interact. energy: -0.589
local terms energy: -121.390221
where:
bonds (distance) C4'-P energy: -21.818
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -37.639
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -22.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -237.279787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.279787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.279787 (E_RNA)
where:
Base-Base interactions energy: -107.733
where: short stacking energy: -60.754
Base-Backbone interact. energy: -0.447
local terms energy: -129.099684
where:
bonds (distance) C4'-P energy: -31.748
bonds (distance) P-C4' energy: -35.703
flat angles C4'-P-C4' energy: -34.115
flat angles P-C4'-P energy: -24.990
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -173.500963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.500963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.500963 (E_RNA)
where:
Base-Base interactions energy: -64.620
where: short stacking energy: -41.504
Base-Backbone interact. energy: -0.057
local terms energy: -108.823555
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -36.413
flat angles C4'-P-C4' energy: -36.656
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: 3.621
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: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -162.281464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.281464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.281464 (E_RNA)
where:
Base-Base interactions energy: -55.502
where: short stacking energy: -45.387
Base-Backbone interact. energy: 1.184
local terms energy: -107.963219
where:
bonds (distance) C4'-P energy: -37.275
bonds (distance) P-C4' energy: -28.164
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -20.820
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -148.839895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.839895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.839895 (E_RNA)
where:
Base-Base interactions energy: -47.244
where: short stacking energy: -41.201
Base-Backbone interact. energy: -0.784
local terms energy: -100.811810
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -27.565
flat angles C4'-P-C4' energy: -37.001
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: 3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -547.338633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.338633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.338633 (E_RNA)
where:
Base-Base interactions energy: -358.173
where: short stacking energy: -169.161
Base-Backbone interact. energy: -1.402
local terms energy: -187.763803
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -36.715
flat angles C4'-P-C4' energy: -39.766
flat angles P-C4'-P energy: -25.310
tors. eta vs tors. theta energy: -59.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -534.345994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.345994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.345994 (E_RNA)
where:
Base-Base interactions energy: -343.830
where: short stacking energy: -162.585
Base-Backbone interact. energy: -0.667
local terms energy: -189.849135
where:
bonds (distance) C4'-P energy: -36.013
bonds (distance) P-C4' energy: -34.128
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -28.081
tors. eta vs tors. theta energy: -51.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -522.259824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.259824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.259824 (E_RNA)
where:
Base-Base interactions energy: -357.000
where: short stacking energy: -166.662
Base-Backbone interact. energy: 3.718
local terms energy: -168.977414
where:
bonds (distance) C4'-P energy: -30.345
bonds (distance) P-C4' energy: -35.105
flat angles C4'-P-C4' energy: -35.084
flat angles P-C4'-P energy: -23.016
tors. eta vs tors. theta energy: -45.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -465.857297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.857297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.857297 (E_RNA)
where:
Base-Base interactions energy: -313.617
where: short stacking energy: -117.353
Base-Backbone interact. energy: -0.270
local terms energy: -151.970122
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -27.482
flat angles C4'-P-C4' energy: -36.917
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -38.894
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: 10
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -450.075829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.075829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.075829 (E_RNA)
where:
Base-Base interactions energy: -297.612
where: short stacking energy: -122.997
Base-Backbone interact. energy: -0.209
local terms energy: -152.254294
where:
bonds (distance) C4'-P energy: -35.068
bonds (distance) P-C4' energy: -28.575
flat angles C4'-P-C4' energy: -33.980
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: -36.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -371.796263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.796263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.796263 (E_RNA)
where:
Base-Base interactions energy: -247.341
where: short stacking energy: -103.705
Base-Backbone interact. energy: -0.526
local terms energy: -123.928533
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -28.491
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -21.858
tors. eta vs tors. theta energy: -25.315
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: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -219.553071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.553071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.553071 (E_RNA)
where:
Base-Base interactions energy: -99.066
where: short stacking energy: -77.592
Base-Backbone interact. energy: -1.027
local terms energy: -119.459690
where:
bonds (distance) C4'-P energy: -28.009
bonds (distance) P-C4' energy: -31.041
flat angles C4'-P-C4' energy: -31.576
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -11.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -158.044125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.044125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.044125 (E_RNA)
where:
Base-Base interactions energy: -48.183
where: short stacking energy: -48.091
Base-Backbone interact. energy: -0.452
local terms energy: -109.408469
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -38.788
flat angles C4'-P-C4' energy: -27.354
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -152.763238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.763238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.763238 (E_RNA)
where:
Base-Base interactions energy: -49.598
where: short stacking energy: -35.544
Base-Backbone interact. energy: -0.143
local terms energy: -103.022533
where:
bonds (distance) C4'-P energy: -26.578
bonds (distance) P-C4' energy: -35.100
flat angles C4'-P-C4' energy: -26.387
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -1.794
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: 275
Temperature: 1.350000
Total energy: -159.337071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.337071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.337071 (E_RNA)
where:
Base-Base interactions energy: -63.408
where: short stacking energy: -44.268
Base-Backbone interact. energy: -0.895
local terms energy: -95.034775
where:
bonds (distance) C4'-P energy: -33.768
bonds (distance) P-C4' energy: -30.413
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -1.063
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: 276
Temperature: 0.900000
Total energy: -543.654601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.654601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.654601 (E_RNA)
where:
Base-Base interactions energy: -353.834
where: short stacking energy: -167.909
Base-Backbone interact. energy: -0.468
local terms energy: -189.352379
where:
bonds (distance) C4'-P energy: -33.242
bonds (distance) P-C4' energy: -37.365
flat angles C4'-P-C4' energy: -42.157
flat angles P-C4'-P energy: -25.760
tors. eta vs tors. theta energy: -50.829
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: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -509.736638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.736638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.736638 (E_RNA)
where:
Base-Base interactions energy: -330.052
where: short stacking energy: -162.886
Base-Backbone interact. energy: -0.233
local terms energy: -179.450944
where:
bonds (distance) C4'-P energy: -39.221
bonds (distance) P-C4' energy: -29.968
flat angles C4'-P-C4' energy: -37.689
flat angles P-C4'-P energy: -28.030
tors. eta vs tors. theta energy: -44.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -517.527523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.527523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.527523 (E_RNA)
where:
Base-Base interactions energy: -344.135
where: short stacking energy: -153.167
Base-Backbone interact. energy: -0.333
local terms energy: -173.059012
where:
bonds (distance) C4'-P energy: -36.082
bonds (distance) P-C4' energy: -34.221
flat angles C4'-P-C4' energy: -36.036
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -44.789
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: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -476.242254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.242254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.242254 (E_RNA)
where:
Base-Base interactions energy: -309.712
where: short stacking energy: -136.414
Base-Backbone interact. energy: -0.261
local terms energy: -166.269814
where:
bonds (distance) C4'-P energy: -31.913
bonds (distance) P-C4' energy: -35.934
flat angles C4'-P-C4' energy: -36.011
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: -39.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -426.329057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.329057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.329057 (E_RNA)
where:
Base-Base interactions energy: -277.601
where: short stacking energy: -132.423
Base-Backbone interact. energy: -0.188
local terms energy: -148.539818
where:
bonds (distance) C4'-P energy: -27.968
bonds (distance) P-C4' energy: -26.283
flat angles C4'-P-C4' energy: -38.060
flat angles P-C4'-P energy: -23.099
tors. eta vs tors. theta energy: -33.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -366.337230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.337230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.337230 (E_RNA)
where:
Base-Base interactions energy: -224.313
where: short stacking energy: -106.939
Base-Backbone interact. energy: -0.829
local terms energy: -141.195031
where:
bonds (distance) C4'-P energy: -34.275
bonds (distance) P-C4' energy: -27.892
flat angles C4'-P-C4' energy: -29.554
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -30.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -178.312749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.312749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.312749 (E_RNA)
where:
Base-Base interactions energy: -63.937
where: short stacking energy: -52.542
Base-Backbone interact. energy: -0.731
local terms energy: -113.644434
where:
bonds (distance) C4'-P energy: -27.893
bonds (distance) P-C4' energy: -34.629
flat angles C4'-P-C4' energy: -27.171
flat angles P-C4'-P energy: -17.901
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -164.715888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.715888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.715888 (E_RNA)
where:
Base-Base interactions energy: -68.777
where: short stacking energy: -45.369
Base-Backbone interact. energy: -0.597
local terms energy: -95.341921
where:
bonds (distance) C4'-P energy: -23.350
bonds (distance) P-C4' energy: -26.217
flat angles C4'-P-C4' energy: -31.357
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: 1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -170.336537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.336537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.336537 (E_RNA)
where:
Base-Base interactions energy: -69.225
where: short stacking energy: -47.116
Base-Backbone interact. energy: -0.091
local terms energy: -101.020948
where:
bonds (distance) C4'-P energy: -27.813
bonds (distance) P-C4' energy: -33.451
flat angles C4'-P-C4' energy: -27.373
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: 5.285
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: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -170.401451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.401451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.401451 (E_RNA)
where:
Base-Base interactions energy: -69.132
where: short stacking energy: -51.494
Base-Backbone interact. energy: -0.979
local terms energy: -100.291132
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -30.105
flat angles C4'-P-C4' energy: -29.050
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -11.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -539.129808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.129808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.129808 (E_RNA)
where:
Base-Base interactions energy: -343.732
where: short stacking energy: -169.694
Base-Backbone interact. energy: -0.713
local terms energy: -194.684207
where:
bonds (distance) C4'-P energy: -37.385
bonds (distance) P-C4' energy: -37.870
flat angles C4'-P-C4' energy: -39.730
flat angles P-C4'-P energy: -28.730
tors. eta vs tors. theta energy: -50.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -525.689540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.689540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.689540 (E_RNA)
where:
Base-Base interactions energy: -367.870
where: short stacking energy: -158.000
Base-Backbone interact. energy: -0.575
local terms energy: -157.244262
where:
bonds (distance) C4'-P energy: -32.994
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -34.115
flat angles P-C4'-P energy: -22.903
tors. eta vs tors. theta energy: -47.209
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: 6
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -520.246488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.246488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.246488 (E_RNA)
where:
Base-Base interactions energy: -345.793
where: short stacking energy: -159.798
Base-Backbone interact. energy: -0.526
local terms energy: -173.928212
where:
bonds (distance) C4'-P energy: -27.905
bonds (distance) P-C4' energy: -29.051
flat angles C4'-P-C4' energy: -35.820
flat angles P-C4'-P energy: -26.321
tors. eta vs tors. theta energy: -54.831
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: 4, replica: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -445.515201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.515201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.515201 (E_RNA)
where:
Base-Base interactions energy: -280.027
where: short stacking energy: -121.832
Base-Backbone interact. energy: -0.393
local terms energy: -165.095142
where:
bonds (distance) C4'-P energy: -28.450
bonds (distance) P-C4' energy: -34.466
flat angles C4'-P-C4' energy: -40.239
flat angles P-C4'-P energy: -24.461
tors. eta vs tors. theta energy: -37.479
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: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -402.954125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.954125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.954125 (E_RNA)
where:
Base-Base interactions energy: -244.211
where: short stacking energy: -101.874
Base-Backbone interact. energy: -1.709
local terms energy: -157.033901
where:
bonds (distance) C4'-P energy: -34.581
bonds (distance) P-C4' energy: -36.364
flat angles C4'-P-C4' energy: -27.934
flat angles P-C4'-P energy: -22.269
tors. eta vs tors. theta energy: -35.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -378.109810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.109810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.109810 (E_RNA)
where:
Base-Base interactions energy: -231.288
where: short stacking energy: -100.275
Base-Backbone interact. energy: -2.749
local terms energy: -144.072431
where:
bonds (distance) C4'-P energy: -28.260
bonds (distance) P-C4' energy: -27.604
flat angles C4'-P-C4' energy: -34.153
flat angles P-C4'-P energy: -20.968
tors. eta vs tors. theta energy: -33.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -203.333072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.333072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.333072 (E_RNA)
where:
Base-Base interactions energy: -92.173
where: short stacking energy: -44.696
Base-Backbone interact. energy: 0.535
local terms energy: -111.694779
where:
bonds (distance) C4'-P energy: -31.860
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -37.246
flat angles P-C4'-P energy: -16.730
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -177.974394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.974394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.974394 (E_RNA)
where:
Base-Base interactions energy: -62.136
where: short stacking energy: -52.081
Base-Backbone interact. energy: 0.551
local terms energy: -116.389873
where:
bonds (distance) C4'-P energy: -36.263
bonds (distance) P-C4' energy: -33.648
flat angles C4'-P-C4' energy: -28.483
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -166.484428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.484428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.484428 (E_RNA)
where:
Base-Base interactions energy: -74.628
where: short stacking energy: -31.624
Base-Backbone interact. energy: 1.016
local terms energy: -92.872702
where:
bonds (distance) C4'-P energy: -37.746
bonds (distance) P-C4' energy: -26.994
flat angles C4'-P-C4' energy: -26.143
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: 5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -175.855891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.855891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.855891 (E_RNA)
where:
Base-Base interactions energy: -73.124
where: short stacking energy: -51.114
Base-Backbone interact. energy: 1.599
local terms energy: -104.331485
where:
bonds (distance) C4'-P energy: -30.031
bonds (distance) P-C4' energy: -31.924
flat angles C4'-P-C4' energy: -28.106
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: 3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -532.506402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.506402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.506402 (E_RNA)
where:
Base-Base interactions energy: -359.947
where: short stacking energy: -154.259
Base-Backbone interact. energy: 0.081
local terms energy: -172.641198
where:
bonds (distance) C4'-P energy: -32.726
bonds (distance) P-C4' energy: -36.364
flat angles C4'-P-C4' energy: -35.997
flat angles P-C4'-P energy: -23.222
tors. eta vs tors. theta energy: -44.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -541.476752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.476752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.476752 (E_RNA)
where:
Base-Base interactions energy: -360.240
where: short stacking energy: -166.726
Base-Backbone interact. energy: -1.222
local terms energy: -180.015641
where:
bonds (distance) C4'-P energy: -36.644
bonds (distance) P-C4' energy: -31.179
flat angles C4'-P-C4' energy: -37.882
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -52.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -511.654965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.654965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.654965 (E_RNA)
where:
Base-Base interactions energy: -333.125
where: short stacking energy: -156.804
Base-Backbone interact. energy: -0.530
local terms energy: -177.999531
where:
bonds (distance) C4'-P energy: -30.836
bonds (distance) P-C4' energy: -34.618
flat angles C4'-P-C4' energy: -37.856
flat angles P-C4'-P energy: -25.549
tors. eta vs tors. theta energy: -49.140
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: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -461.332981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.332981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.332981 (E_RNA)
where:
Base-Base interactions energy: -312.373
where: short stacking energy: -114.467
Base-Backbone interact. energy: 1.219
local terms energy: -150.178896
where:
bonds (distance) C4'-P energy: -26.643
bonds (distance) P-C4' energy: -32.961
flat angles C4'-P-C4' energy: -30.360
flat angles P-C4'-P energy: -24.512
tors. eta vs tors. theta energy: -35.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -412.409848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.409848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.409848 (E_RNA)
where:
Base-Base interactions energy: -257.993
where: short stacking energy: -106.301
Base-Backbone interact. energy: -0.755
local terms energy: -153.662191
where:
bonds (distance) C4'-P energy: -33.739
bonds (distance) P-C4' energy: -36.276
flat angles C4'-P-C4' energy: -31.792
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -29.288
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: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -369.316697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.316697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.316697 (E_RNA)
where:
Base-Base interactions energy: -241.337
where: short stacking energy: -107.551
Base-Backbone interact. energy: -0.047
local terms energy: -127.933029
where:
bonds (distance) C4'-P energy: -26.297
bonds (distance) P-C4' energy: -27.421
flat angles C4'-P-C4' energy: -30.256
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -22.473
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: 278
Temperature: 1.200000
Total energy: -240.222354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.222354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.222354 (E_RNA)
where:
Base-Base interactions energy: -117.981
where: short stacking energy: -60.127
Base-Backbone interact. energy: 0.062
local terms energy: -122.303320
where:
bonds (distance) C4'-P energy: -35.153
bonds (distance) P-C4' energy: -35.127
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -10.484
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: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -198.014991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.014991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.014991 (E_RNA)
where:
Base-Base interactions energy: -94.120
where: short stacking energy: -46.783
Base-Backbone interact. energy: 0.033
local terms energy: -103.928668
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -29.440
flat angles C4'-P-C4' energy: -31.466
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: 3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -183.079305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.079305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.079305 (E_RNA)
where:
Base-Base interactions energy: -63.415
where: short stacking energy: -50.553
Base-Backbone interact. energy: -1.400
local terms energy: -118.264116
where:
bonds (distance) C4'-P energy: -31.150
bonds (distance) P-C4' energy: -35.411
flat angles C4'-P-C4' energy: -28.335
flat angles P-C4'-P energy: -17.569
tors. eta vs tors. theta energy: -5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -162.640239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.640239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.640239 (E_RNA)
where:
Base-Base interactions energy: -48.886
where: short stacking energy: -48.217
Base-Backbone interact. energy: -1.121
local terms energy: -112.633842
where:
bonds (distance) C4'-P energy: -30.559
bonds (distance) P-C4' energy: -29.276
flat angles C4'-P-C4' energy: -33.161
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -525.954076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.954076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.954076 (E_RNA)
where:
Base-Base interactions energy: -360.332
where: short stacking energy: -153.842
Base-Backbone interact. energy: -1.249
local terms energy: -164.372920
where:
bonds (distance) C4'-P energy: -35.242
bonds (distance) P-C4' energy: -33.425
flat angles C4'-P-C4' energy: -32.977
flat angles P-C4'-P energy: -22.984
tors. eta vs tors. theta energy: -39.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -515.522414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.522414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.522414 (E_RNA)
where:
Base-Base interactions energy: -336.920
where: short stacking energy: -164.432
Base-Backbone interact. energy: -0.513
local terms energy: -178.088580
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -35.735
flat angles C4'-P-C4' energy: -39.199
flat angles P-C4'-P energy: -30.985
tors. eta vs tors. theta energy: -48.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -526.411444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.411444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.411444 (E_RNA)
where:
Base-Base interactions energy: -346.238
where: short stacking energy: -153.873
Base-Backbone interact. energy: 0.273
local terms energy: -180.446038
where:
bonds (distance) C4'-P energy: -35.152
bonds (distance) P-C4' energy: -36.365
flat angles C4'-P-C4' energy: -37.388
flat angles P-C4'-P energy: -17.278
tors. eta vs tors. theta energy: -54.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -436.611080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.611080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.611080 (E_RNA)
where:
Base-Base interactions energy: -291.407
where: short stacking energy: -105.920
Base-Backbone interact. energy: -1.451
local terms energy: -143.752448
where:
bonds (distance) C4'-P energy: -40.807
bonds (distance) P-C4' energy: -33.190
flat angles C4'-P-C4' energy: -31.715
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -26.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -434.279782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.279782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.279782 (E_RNA)
where:
Base-Base interactions energy: -282.181
where: short stacking energy: -124.327
Base-Backbone interact. energy: -1.159
local terms energy: -150.939415
where:
bonds (distance) C4'-P energy: -32.760
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -30.393
flat angles P-C4'-P energy: -19.825
tors. eta vs tors. theta energy: -37.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -398.601058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.601058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.601058 (E_RNA)
where:
Base-Base interactions energy: -239.720
where: short stacking energy: -121.685
Base-Backbone interact. energy: -0.146
local terms energy: -158.734978
where:
bonds (distance) C4'-P energy: -26.727
bonds (distance) P-C4' energy: -28.646
flat angles C4'-P-C4' energy: -40.275
flat angles P-C4'-P energy: -22.431
tors. eta vs tors. theta energy: -40.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -253.381848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.381848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.381848 (E_RNA)
where:
Base-Base interactions energy: -125.549
where: short stacking energy: -62.459
Base-Backbone interact. energy: -0.230
local terms energy: -127.603258
where:
bonds (distance) C4'-P energy: -26.708
bonds (distance) P-C4' energy: -31.743
flat angles C4'-P-C4' energy: -33.257
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -16.932
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: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -189.358274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.358274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.358274 (E_RNA)
where:
Base-Base interactions energy: -80.351
where: short stacking energy: -62.098
Base-Backbone interact. energy: -0.366
local terms energy: -108.642070
where:
bonds (distance) C4'-P energy: -26.755
bonds (distance) P-C4' energy: -32.672
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -16.842
tors. eta vs tors. theta energy: -6.873
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: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -151.608383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.608383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.608383 (E_RNA)
where:
Base-Base interactions energy: -42.474
where: short stacking energy: -30.100
Base-Backbone interact. energy: -0.535
local terms energy: -108.599517
where:
bonds (distance) C4'-P energy: -34.788
bonds (distance) P-C4' energy: -32.134
flat angles C4'-P-C4' energy: -33.069
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: 5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -145.341495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.341495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.341495 (E_RNA)
where:
Base-Base interactions energy: -36.888
where: short stacking energy: -36.955
Base-Backbone interact. energy: -0.531
local terms energy: -107.922635
where:
bonds (distance) C4'-P energy: -30.249
bonds (distance) P-C4' energy: -32.189
flat angles C4'-P-C4' energy: -27.145
flat angles P-C4'-P energy: -17.578
tors. eta vs tors. theta energy: -0.761
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: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -539.276225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.276225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.276225 (E_RNA)
where:
Base-Base interactions energy: -357.702
where: short stacking energy: -158.221
Base-Backbone interact. energy: -0.446
local terms energy: -181.128950
where:
bonds (distance) C4'-P energy: -36.778
bonds (distance) P-C4' energy: -38.763
flat angles C4'-P-C4' energy: -30.486
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -53.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -529.327527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.327527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.327527 (E_RNA)
where:
Base-Base interactions energy: -355.644
where: short stacking energy: -159.396
Base-Backbone interact. energy: -0.956
local terms energy: -172.727384
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -40.014
flat angles P-C4'-P energy: -31.286
tors. eta vs tors. theta energy: -50.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -495.866708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.866708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.866708 (E_RNA)
where:
Base-Base interactions energy: -326.855
where: short stacking energy: -145.571
Base-Backbone interact. energy: -0.709
local terms energy: -168.302678
where:
bonds (distance) C4'-P energy: -37.556
bonds (distance) P-C4' energy: -30.398
flat angles C4'-P-C4' energy: -34.409
flat angles P-C4'-P energy: -22.849
tors. eta vs tors. theta energy: -43.092
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: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -427.047748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.047748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.047748 (E_RNA)
where:
Base-Base interactions energy: -269.259
where: short stacking energy: -118.777
Base-Backbone interact. energy: -1.905
local terms energy: -155.884138
where:
bonds (distance) C4'-P energy: -32.806
bonds (distance) P-C4' energy: -36.101
flat angles C4'-P-C4' energy: -33.490
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -36.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -440.136973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.136973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.136973 (E_RNA)
where:
Base-Base interactions energy: -276.536
where: short stacking energy: -118.359
Base-Backbone interact. energy: -0.880
local terms energy: -162.721692
where:
bonds (distance) C4'-P energy: -29.674
bonds (distance) P-C4' energy: -34.885
flat angles C4'-P-C4' energy: -36.110
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -42.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -382.260352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.260352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.260352 (E_RNA)
where:
Base-Base interactions energy: -221.580
where: short stacking energy: -107.488
Base-Backbone interact. energy: -0.284
local terms energy: -160.396771
where:
bonds (distance) C4'-P energy: -34.273
bonds (distance) P-C4' energy: -32.805
flat angles C4'-P-C4' energy: -33.353
flat angles P-C4'-P energy: -24.986
tors. eta vs tors. theta energy: -34.980
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: 280
Temperature: 1.200000
Total energy: -270.674503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.674503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.674503 (E_RNA)
where:
Base-Base interactions energy: -140.173
where: short stacking energy: -81.497
Base-Backbone interact. energy: 1.470
local terms energy: -131.971122
where:
bonds (distance) C4'-P energy: -25.960
bonds (distance) P-C4' energy: -35.253
flat angles C4'-P-C4' energy: -32.483
flat angles P-C4'-P energy: -23.668
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -157.481400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.481400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.481400 (E_RNA)
where:
Base-Base interactions energy: -66.815
where: short stacking energy: -39.936
Base-Backbone interact. energy: -1.485
local terms energy: -89.181350
where:
bonds (distance) C4'-P energy: -23.378
bonds (distance) P-C4' energy: -36.536
flat angles C4'-P-C4' energy: -27.680
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: 13.367
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: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -154.665077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.665077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.665077 (E_RNA)
where:
Base-Base interactions energy: -44.145
where: short stacking energy: -35.554
Base-Backbone interact. energy: 0.333
local terms energy: -110.852958
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -32.915
flat angles C4'-P-C4' energy: -33.030
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: 1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -157.165695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.165695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.165695 (E_RNA)
where:
Base-Base interactions energy: -55.927
where: short stacking energy: -43.932
Base-Backbone interact. energy: -0.258
local terms energy: -100.980069
where:
bonds (distance) C4'-P energy: -26.957
bonds (distance) P-C4' energy: -36.109
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -11.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -531.876128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.876128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.876128 (E_RNA)
where:
Base-Base interactions energy: -344.399
where: short stacking energy: -165.481
Base-Backbone interact. energy: -0.648
local terms energy: -186.829482
where:
bonds (distance) C4'-P energy: -32.155
bonds (distance) P-C4' energy: -33.361
flat angles C4'-P-C4' energy: -40.253
flat angles P-C4'-P energy: -28.628
tors. eta vs tors. theta energy: -52.433
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: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -530.371769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.371769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.371769 (E_RNA)
where:
Base-Base interactions energy: -362.529
where: short stacking energy: -154.362
Base-Backbone interact. energy: -0.602
local terms energy: -167.240036
where:
bonds (distance) C4'-P energy: -37.432
bonds (distance) P-C4' energy: -29.055
flat angles C4'-P-C4' energy: -36.914
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -44.064
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: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -500.497480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.497480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.497480 (E_RNA)
where:
Base-Base interactions energy: -321.848
where: short stacking energy: -146.365
Base-Backbone interact. energy: -0.789
local terms energy: -177.859944
where:
bonds (distance) C4'-P energy: -29.942
bonds (distance) P-C4' energy: -33.152
flat angles C4'-P-C4' energy: -36.604
flat angles P-C4'-P energy: -29.617
tors. eta vs tors. theta energy: -48.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -449.530806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.530806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.530806 (E_RNA)
where:
Base-Base interactions energy: -289.500
where: short stacking energy: -129.167
Base-Backbone interact. energy: -0.434
local terms energy: -159.596778
where:
bonds (distance) C4'-P energy: -32.581
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -40.723
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -38.986
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: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -432.309554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.309554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.309554 (E_RNA)
where:
Base-Base interactions energy: -271.519
where: short stacking energy: -118.238
Base-Backbone interact. energy: -1.053
local terms energy: -159.737887
where:
bonds (distance) C4'-P energy: -34.484
bonds (distance) P-C4' energy: -33.238
flat angles C4'-P-C4' energy: -38.774
flat angles P-C4'-P energy: -25.435
tors. eta vs tors. theta energy: -27.807
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: 281
Temperature: 1.150000
Total energy: -369.386710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.386710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.386710 (E_RNA)
where:
Base-Base interactions energy: -215.375
where: short stacking energy: -98.716
Base-Backbone interact. energy: 0.024
local terms energy: -154.035267
where:
bonds (distance) C4'-P energy: -33.165
bonds (distance) P-C4' energy: -36.327
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -25.359
tors. eta vs tors. theta energy: -28.341
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: 281
Temperature: 1.200000
Total energy: -287.934156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.934156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.934156 (E_RNA)
where:
Base-Base interactions energy: -155.749
where: short stacking energy: -81.749
Base-Backbone interact. energy: -0.114
local terms energy: -132.071249
where:
bonds (distance) C4'-P energy: -30.310
bonds (distance) P-C4' energy: -34.627
flat angles C4'-P-C4' energy: -29.037
flat angles P-C4'-P energy: -24.649
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -176.988589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.988589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.988589 (E_RNA)
where:
Base-Base interactions energy: -63.871
where: short stacking energy: -61.758
Base-Backbone interact. energy: -0.301
local terms energy: -112.816025
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -35.496
flat angles C4'-P-C4' energy: -27.299
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -10.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -164.631128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.631128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.631128 (E_RNA)
where:
Base-Base interactions energy: -46.450
where: short stacking energy: -35.635
Base-Backbone interact. energy: -0.330
local terms energy: -117.851193
where:
bonds (distance) C4'-P energy: -36.205
bonds (distance) P-C4' energy: -34.382
flat angles C4'-P-C4' energy: -32.393
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: 1.440
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: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -154.634403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.634403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.634403 (E_RNA)
where:
Base-Base interactions energy: -57.045
where: short stacking energy: -39.435
Base-Backbone interact. energy: 0.358
local terms energy: -97.947111
where:
bonds (distance) C4'-P energy: -28.080
bonds (distance) P-C4' energy: -29.527
flat angles C4'-P-C4' energy: -28.401
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: 2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -543.037532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.037532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.037532 (E_RNA)
where:
Base-Base interactions energy: -353.861
where: short stacking energy: -167.861
Base-Backbone interact. energy: -0.096
local terms energy: -189.080242
where:
bonds (distance) C4'-P energy: -37.345
bonds (distance) P-C4' energy: -36.311
flat angles C4'-P-C4' energy: -37.826
flat angles P-C4'-P energy: -22.793
tors. eta vs tors. theta energy: -54.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -523.001393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.001393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.001393 (E_RNA)
where:
Base-Base interactions energy: -346.383
where: short stacking energy: -153.152
Base-Backbone interact. energy: -0.376
local terms energy: -176.241505
where:
bonds (distance) C4'-P energy: -35.384
bonds (distance) P-C4' energy: -38.147
flat angles C4'-P-C4' energy: -39.845
flat angles P-C4'-P energy: -20.514
tors. eta vs tors. theta energy: -42.352
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: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -495.895488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.895488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.895488 (E_RNA)
where:
Base-Base interactions energy: -323.028
where: short stacking energy: -149.701
Base-Backbone interact. energy: -0.726
local terms energy: -172.141891
where:
bonds (distance) C4'-P energy: -29.467
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -39.941
flat angles P-C4'-P energy: -24.083
tors. eta vs tors. theta energy: -45.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -440.966885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.966885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.966885 (E_RNA)
where:
Base-Base interactions energy: -282.332
where: short stacking energy: -119.677
Base-Backbone interact. energy: -0.470
local terms energy: -158.164836
where:
bonds (distance) C4'-P energy: -31.458
bonds (distance) P-C4' energy: -27.257
flat angles C4'-P-C4' energy: -32.468
flat angles P-C4'-P energy: -25.866
tors. eta vs tors. theta energy: -41.116
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: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -425.281097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.281097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.281097 (E_RNA)
where:
Base-Base interactions energy: -277.653
where: short stacking energy: -114.515
Base-Backbone interact. energy: -0.813
local terms energy: -146.815011
where:
bonds (distance) C4'-P energy: -28.458
bonds (distance) P-C4' energy: -33.941
flat angles C4'-P-C4' energy: -33.572
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -32.530
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: 282
Temperature: 1.150000
Total energy: -363.394852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.394852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.394852 (E_RNA)
where:
Base-Base interactions energy: -215.172
where: short stacking energy: -100.912
Base-Backbone interact. energy: -0.431
local terms energy: -147.792029
where:
bonds (distance) C4'-P energy: -31.508
bonds (distance) P-C4' energy: -29.775
flat angles C4'-P-C4' energy: -38.355
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -23.462
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: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -274.848708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.848708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.848708 (E_RNA)
where:
Base-Base interactions energy: -177.250
where: short stacking energy: -90.965
Base-Backbone interact. energy: 0.928
local terms energy: -98.527342
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -31.393
flat angles C4'-P-C4' energy: -26.358
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -12.366
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: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -161.422090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.422090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.422090 (E_RNA)
where:
Base-Base interactions energy: -62.372
where: short stacking energy: -40.344
Base-Backbone interact. energy: -0.051
local terms energy: -98.998581
where:
bonds (distance) C4'-P energy: -30.118
bonds (distance) P-C4' energy: -31.509
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -19.892
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -151.966647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.966647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.966647 (E_RNA)
where:
Base-Base interactions energy: -56.636
where: short stacking energy: -44.432
Base-Backbone interact. energy: -0.941
local terms energy: -94.389309
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -25.028
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -160.187188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.187188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.187188 (E_RNA)
where:
Base-Base interactions energy: -59.330
where: short stacking energy: -40.038
Base-Backbone interact. energy: -0.097
local terms energy: -100.759583
where:
bonds (distance) C4'-P energy: -28.599
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -29.176
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: 0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -531.641098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.641098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.641098 (E_RNA)
where:
Base-Base interactions energy: -343.721
where: short stacking energy: -173.171
Base-Backbone interact. energy: -0.799
local terms energy: -187.120224
where:
bonds (distance) C4'-P energy: -33.448
bonds (distance) P-C4' energy: -31.987
flat angles C4'-P-C4' energy: -38.116
flat angles P-C4'-P energy: -27.344
tors. eta vs tors. theta energy: -56.224
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: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -507.548259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.548259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.548259 (E_RNA)
where:
Base-Base interactions energy: -339.106
where: short stacking energy: -161.496
Base-Backbone interact. energy: -0.444
local terms energy: -167.998652
where:
bonds (distance) C4'-P energy: -32.840
bonds (distance) P-C4' energy: -29.752
flat angles C4'-P-C4' energy: -34.597
flat angles P-C4'-P energy: -22.414
tors. eta vs tors. theta energy: -48.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -504.905148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.905148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.905148 (E_RNA)
where:
Base-Base interactions energy: -338.364
where: short stacking energy: -139.132
Base-Backbone interact. energy: -0.636
local terms energy: -165.905574
where:
bonds (distance) C4'-P energy: -35.426
bonds (distance) P-C4' energy: -31.058
flat angles C4'-P-C4' energy: -35.224
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -40.146
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: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -456.162005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.162005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.162005 (E_RNA)
where:
Base-Base interactions energy: -301.106
where: short stacking energy: -123.954
Base-Backbone interact. energy: -1.330
local terms energy: -153.726005
where:
bonds (distance) C4'-P energy: -30.116
bonds (distance) P-C4' energy: -24.755
flat angles C4'-P-C4' energy: -38.658
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: -39.968
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: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -418.854325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.854325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.854325 (E_RNA)
where:
Base-Base interactions energy: -266.728
where: short stacking energy: -118.063
Base-Backbone interact. energy: -1.817
local terms energy: -150.308886
where:
bonds (distance) C4'-P energy: -29.536
bonds (distance) P-C4' energy: -30.599
flat angles C4'-P-C4' energy: -28.958
flat angles P-C4'-P energy: -29.221
tors. eta vs tors. theta energy: -31.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -339.305169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.305169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.305169 (E_RNA)
where:
Base-Base interactions energy: -193.109
where: short stacking energy: -81.763
Base-Backbone interact. energy: -1.788
local terms energy: -144.408121
where:
bonds (distance) C4'-P energy: -31.634
bonds (distance) P-C4' energy: -29.279
flat angles C4'-P-C4' energy: -29.963
flat angles P-C4'-P energy: -26.883
tors. eta vs tors. theta energy: -26.649
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: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -270.853244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.853244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.853244 (E_RNA)
where:
Base-Base interactions energy: -144.567
where: short stacking energy: -82.367
Base-Backbone interact. energy: -1.058
local terms energy: -125.228597
where:
bonds (distance) C4'-P energy: -33.386
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -27.011
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -21.078
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: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -210.296332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.296332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.296332 (E_RNA)
where:
Base-Base interactions energy: -89.447
where: short stacking energy: -60.263
Base-Backbone interact. energy: -0.359
local terms energy: -120.490318
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -38.353
flat angles C4'-P-C4' energy: -30.858
flat angles P-C4'-P energy: -20.661
tors. eta vs tors. theta energy: -8.133
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: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -167.216923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.216923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.216923 (E_RNA)
where:
Base-Base interactions energy: -81.892
where: short stacking energy: -33.242
Base-Backbone interact. energy: -0.014
local terms energy: -85.311081
where:
bonds (distance) C4'-P energy: -36.481
bonds (distance) P-C4' energy: -26.377
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: 6.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -159.571505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.571505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.571505 (E_RNA)
where:
Base-Base interactions energy: -56.960
where: short stacking energy: -28.941
Base-Backbone interact. energy: -0.857
local terms energy: -101.754366
where:
bonds (distance) C4'-P energy: -33.322
bonds (distance) P-C4' energy: -34.162
flat angles C4'-P-C4' energy: -27.156
flat angles P-C4'-P energy: -15.142
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: 1, replica: 6
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -532.996399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.996399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.996399 (E_RNA)
where:
Base-Base interactions energy: -352.363
where: short stacking energy: -161.888
Base-Backbone interact. energy: -0.522
local terms energy: -180.111756
where:
bonds (distance) C4'-P energy: -38.457
bonds (distance) P-C4' energy: -31.183
flat angles C4'-P-C4' energy: -33.396
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: -54.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -503.638576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.638576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.638576 (E_RNA)
where:
Base-Base interactions energy: -332.650
where: short stacking energy: -152.208
Base-Backbone interact. energy: -2.102
local terms energy: -168.886350
where:
bonds (distance) C4'-P energy: -26.761
bonds (distance) P-C4' energy: -35.192
flat angles C4'-P-C4' energy: -34.280
flat angles P-C4'-P energy: -23.346
tors. eta vs tors. theta energy: -49.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -514.185778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.185778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.185778 (E_RNA)
where:
Base-Base interactions energy: -340.796
where: short stacking energy: -136.823
Base-Backbone interact. energy: -1.286
local terms energy: -172.103704
where:
bonds (distance) C4'-P energy: -34.342
bonds (distance) P-C4' energy: -31.631
flat angles C4'-P-C4' energy: -36.166
flat angles P-C4'-P energy: -29.103
tors. eta vs tors. theta energy: -40.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -475.759554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.759554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.759554 (E_RNA)
where:
Base-Base interactions energy: -324.368
where: short stacking energy: -136.681
Base-Backbone interact. energy: 5.028
local terms energy: -156.420269
where:
bonds (distance) C4'-P energy: -33.317
bonds (distance) P-C4' energy: -33.448
flat angles C4'-P-C4' energy: -35.362
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -38.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -424.430371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.430371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.430371 (E_RNA)
where:
Base-Base interactions energy: -269.994
where: short stacking energy: -122.775
Base-Backbone interact. energy: -0.143
local terms energy: -154.293392
where:
bonds (distance) C4'-P energy: -31.146
bonds (distance) P-C4' energy: -35.119
flat angles C4'-P-C4' energy: -35.957
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -32.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -345.077091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.077091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.077091 (E_RNA)
where:
Base-Base interactions energy: -212.309
where: short stacking energy: -81.886
Base-Backbone interact. energy: 0.633
local terms energy: -133.400311
where:
bonds (distance) C4'-P energy: -32.751
bonds (distance) P-C4' energy: -33.885
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -19.347
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -241.644446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.644446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.644446 (E_RNA)
where:
Base-Base interactions energy: -107.808
where: short stacking energy: -63.386
Base-Backbone interact. energy: -0.977
local terms energy: -132.859283
where:
bonds (distance) C4'-P energy: -29.994
bonds (distance) P-C4' energy: -36.643
flat angles C4'-P-C4' energy: -30.665
flat angles P-C4'-P energy: -24.025
tors. eta vs tors. theta energy: -11.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -288.440025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.440025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.440025 (E_RNA)
where:
Base-Base interactions energy: -145.704
where: short stacking energy: -87.958
Base-Backbone interact. energy: -0.675
local terms energy: -142.061566
where:
bonds (distance) C4'-P energy: -30.370
bonds (distance) P-C4' energy: -36.019
flat angles C4'-P-C4' energy: -35.757
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -178.230671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.230671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.230671 (E_RNA)
where:
Base-Base interactions energy: -70.283
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.035
local terms energy: -107.912215
where:
bonds (distance) C4'-P energy: -30.321
bonds (distance) P-C4' energy: -29.743
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -142.783457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.783457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.783457 (E_RNA)
where:
Base-Base interactions energy: -66.141
where: short stacking energy: -35.242
Base-Backbone interact. energy: 1.711
local terms energy: -78.353508
where:
bonds (distance) C4'-P energy: -25.948
bonds (distance) P-C4' energy: -26.943
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: 9.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -528.560358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.560358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.560358 (E_RNA)
where:
Base-Base interactions energy: -339.222
where: short stacking energy: -155.481
Base-Backbone interact. energy: 0.805
local terms energy: -190.142692
where:
bonds (distance) C4'-P energy: -38.876
bonds (distance) P-C4' energy: -36.318
flat angles C4'-P-C4' energy: -36.872
flat angles P-C4'-P energy: -23.104
tors. eta vs tors. theta energy: -54.972
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: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -519.599645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.599645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.599645 (E_RNA)
where:
Base-Base interactions energy: -346.298
where: short stacking energy: -144.006
Base-Backbone interact. energy: 0.777
local terms energy: -174.078204
where:
bonds (distance) C4'-P energy: -32.303
bonds (distance) P-C4' energy: -39.372
flat angles C4'-P-C4' energy: -37.107
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -43.729
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: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -496.225132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.225132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.225132 (E_RNA)
where:
Base-Base interactions energy: -313.849
where: short stacking energy: -148.647
Base-Backbone interact. energy: -0.147
local terms energy: -182.228805
where:
bonds (distance) C4'-P energy: -33.270
bonds (distance) P-C4' energy: -38.308
flat angles C4'-P-C4' energy: -36.127
flat angles P-C4'-P energy: -24.874
tors. eta vs tors. theta energy: -49.650
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: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -474.689446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.689446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.689446 (E_RNA)
where:
Base-Base interactions energy: -316.248
where: short stacking energy: -139.923
Base-Backbone interact. energy: -0.099
local terms energy: -158.342593
where:
bonds (distance) C4'-P energy: -33.336
bonds (distance) P-C4' energy: -27.016
flat angles C4'-P-C4' energy: -35.986
flat angles P-C4'-P energy: -19.034
tors. eta vs tors. theta energy: -42.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -437.165506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.165506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.165506 (E_RNA)
where:
Base-Base interactions energy: -278.226
where: short stacking energy: -118.493
Base-Backbone interact. energy: -0.986
local terms energy: -157.953643
where:
bonds (distance) C4'-P energy: -33.693
bonds (distance) P-C4' energy: -34.135
flat angles C4'-P-C4' energy: -35.213
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -32.693
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: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -332.975988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.975988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.975988 (E_RNA)
where:
Base-Base interactions energy: -206.453
where: short stacking energy: -94.440
Base-Backbone interact. energy: -0.407
local terms energy: -126.116687
where:
bonds (distance) C4'-P energy: -26.188
bonds (distance) P-C4' energy: -35.425
flat angles C4'-P-C4' energy: -26.849
flat angles P-C4'-P energy: -22.054
tors. eta vs tors. theta energy: -15.601
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: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -235.015392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.015392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.015392 (E_RNA)
where:
Base-Base interactions energy: -116.615
where: short stacking energy: -58.487
Base-Backbone interact. energy: 2.027
local terms energy: -120.426963
where:
bonds (distance) C4'-P energy: -30.190
bonds (distance) P-C4' energy: -33.684
flat angles C4'-P-C4' energy: -30.597
flat angles P-C4'-P energy: -18.654
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -241.281762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.281762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.281762 (E_RNA)
where:
Base-Base interactions energy: -141.050
where: short stacking energy: -64.218
Base-Backbone interact. energy: -0.164
local terms energy: -100.067864
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -24.139
flat angles P-C4'-P energy: -18.943
tors. eta vs tors. theta energy: -11.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -179.694376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.694376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.694376 (E_RNA)
where:
Base-Base interactions energy: -73.451
where: short stacking energy: -43.246
Base-Backbone interact. energy: -0.093
local terms energy: -106.149898
where:
bonds (distance) C4'-P energy: -27.226
bonds (distance) P-C4' energy: -31.838
flat angles C4'-P-C4' energy: -28.723
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: 4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -150.455584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.455584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.455584 (E_RNA)
where:
Base-Base interactions energy: -46.483
where: short stacking energy: -41.604
Base-Backbone interact. energy: -0.579
local terms energy: -103.393127
where:
bonds (distance) C4'-P energy: -28.395
bonds (distance) P-C4' energy: -27.448
flat angles C4'-P-C4' energy: -25.055
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -539.028810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.028810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.028810 (E_RNA)
where:
Base-Base interactions energy: -348.071
where: short stacking energy: -158.779
Base-Backbone interact. energy: -0.374
local terms energy: -190.584226
where:
bonds (distance) C4'-P energy: -36.544
bonds (distance) P-C4' energy: -36.341
flat angles C4'-P-C4' energy: -35.728
flat angles P-C4'-P energy: -26.070
tors. eta vs tors. theta energy: -55.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -514.506603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.506603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.506603 (E_RNA)
where:
Base-Base interactions energy: -331.739
where: short stacking energy: -144.774
Base-Backbone interact. energy: -0.946
local terms energy: -181.821701
where:
bonds (distance) C4'-P energy: -37.662
bonds (distance) P-C4' energy: -33.833
flat angles C4'-P-C4' energy: -43.528
flat angles P-C4'-P energy: -24.827
tors. eta vs tors. theta energy: -41.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -473.450451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.450451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.450451 (E_RNA)
where:
Base-Base interactions energy: -304.812
where: short stacking energy: -131.640
Base-Backbone interact. energy: -0.671
local terms energy: -167.967911
where:
bonds (distance) C4'-P energy: -29.322
bonds (distance) P-C4' energy: -36.407
flat angles C4'-P-C4' energy: -36.214
flat angles P-C4'-P energy: -29.836
tors. eta vs tors. theta energy: -36.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -478.597280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.597280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.597280 (E_RNA)
where:
Base-Base interactions energy: -321.442
where: short stacking energy: -128.655
Base-Backbone interact. energy: -0.462
local terms energy: -156.692919
where:
bonds (distance) C4'-P energy: -30.269
bonds (distance) P-C4' energy: -28.886
flat angles C4'-P-C4' energy: -35.140
flat angles P-C4'-P energy: -25.249
tors. eta vs tors. theta energy: -37.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -373.735613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.735613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.735613 (E_RNA)
where:
Base-Base interactions energy: -223.511
where: short stacking energy: -102.226
Base-Backbone interact. energy: -1.175
local terms energy: -149.050062
where:
bonds (distance) C4'-P energy: -32.749
bonds (distance) P-C4' energy: -38.037
flat angles C4'-P-C4' energy: -33.109
flat angles P-C4'-P energy: -17.835
tors. eta vs tors. theta energy: -27.319
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: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -270.158707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.158707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.158707 (E_RNA)
where:
Base-Base interactions energy: -143.430
where: short stacking energy: -82.160
Base-Backbone interact. energy: 0.610
local terms energy: -127.338557
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -27.423
flat angles C4'-P-C4' energy: -34.565
flat angles P-C4'-P energy: -21.592
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -237.661799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.661799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.661799 (E_RNA)
where:
Base-Base interactions energy: -112.139
where: short stacking energy: -66.905
Base-Backbone interact. energy: -1.547
local terms energy: -123.975350
where:
bonds (distance) C4'-P energy: -26.974
bonds (distance) P-C4' energy: -38.946
flat angles C4'-P-C4' energy: -32.757
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: -9.209
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: 2
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -165.532633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.532633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.532633 (E_RNA)
where:
Base-Base interactions energy: -62.063
where: short stacking energy: -52.106
Base-Backbone interact. energy: -0.005
local terms energy: -103.464939
where:
bonds (distance) C4'-P energy: -36.820
bonds (distance) P-C4' energy: -30.198
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: 0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -195.047603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.047603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.047603 (E_RNA)
where:
Base-Base interactions energy: -75.528
where: short stacking energy: -67.070
Base-Backbone interact. energy: -0.808
local terms energy: -118.711663
where:
bonds (distance) C4'-P energy: -30.584
bonds (distance) P-C4' energy: -25.602
flat angles C4'-P-C4' energy: -28.475
flat angles P-C4'-P energy: -23.727
tors. eta vs tors. theta energy: -10.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -158.131864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.131864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.131864 (E_RNA)
where:
Base-Base interactions energy: -51.315
where: short stacking energy: -31.285
Base-Backbone interact. energy: 1.385
local terms energy: -108.201821
where:
bonds (distance) C4'-P energy: -32.302
bonds (distance) P-C4' energy: -30.935
flat angles C4'-P-C4' energy: -24.067
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -530.229415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.229415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.229415 (E_RNA)
where:
Base-Base interactions energy: -335.662
where: short stacking energy: -169.448
Base-Backbone interact. energy: -1.162
local terms energy: -193.405928
where:
bonds (distance) C4'-P energy: -36.392
bonds (distance) P-C4' energy: -35.480
flat angles C4'-P-C4' energy: -39.043
flat angles P-C4'-P energy: -28.584
tors. eta vs tors. theta energy: -53.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -519.754247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.754247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.754247 (E_RNA)
where:
Base-Base interactions energy: -338.295
where: short stacking energy: -143.995
Base-Backbone interact. energy: -0.401
local terms energy: -181.058188
where:
bonds (distance) C4'-P energy: -39.588
bonds (distance) P-C4' energy: -36.465
flat angles C4'-P-C4' energy: -40.132
flat angles P-C4'-P energy: -23.041
tors. eta vs tors. theta energy: -41.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -489.517295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.517295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.517295 (E_RNA)
where:
Base-Base interactions energy: -304.001
where: short stacking energy: -156.887
Base-Backbone interact. energy: -0.097
local terms energy: -185.418587
where:
bonds (distance) C4'-P energy: -34.375
bonds (distance) P-C4' energy: -31.394
flat angles C4'-P-C4' energy: -37.556
flat angles P-C4'-P energy: -30.805
tors. eta vs tors. theta energy: -51.288
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: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -462.326878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.326878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.326878 (E_RNA)
where:
Base-Base interactions energy: -309.051
where: short stacking energy: -125.832
Base-Backbone interact. energy: -0.238
local terms energy: -153.036984
where:
bonds (distance) C4'-P energy: -32.293
bonds (distance) P-C4' energy: -33.361
flat angles C4'-P-C4' energy: -27.297
flat angles P-C4'-P energy: -23.691
tors. eta vs tors. theta energy: -36.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -431.512948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.512948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.512948 (E_RNA)
where:
Base-Base interactions energy: -283.237
where: short stacking energy: -117.084
Base-Backbone interact. energy: -1.214
local terms energy: -147.061915
where:
bonds (distance) C4'-P energy: -31.809
bonds (distance) P-C4' energy: -27.716
flat angles C4'-P-C4' energy: -29.595
flat angles P-C4'-P energy: -26.267
tors. eta vs tors. theta energy: -31.674
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: 287
Temperature: 1.150000
Total energy: -256.977874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.977874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.977874 (E_RNA)
where:
Base-Base interactions energy: -141.194
where: short stacking energy: -66.027
Base-Backbone interact. energy: -0.744
local terms energy: -115.039802
where:
bonds (distance) C4'-P energy: -33.501
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -26.605
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -227.734180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.734180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.734180 (E_RNA)
where:
Base-Base interactions energy: -94.241
where: short stacking energy: -54.756
Base-Backbone interact. energy: 1.637
local terms energy: -135.129948
where:
bonds (distance) C4'-P energy: -27.862
bonds (distance) P-C4' energy: -34.626
flat angles C4'-P-C4' energy: -35.299
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -165.726869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.726869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.726869 (E_RNA)
where:
Base-Base interactions energy: -59.199
where: short stacking energy: -38.701
Base-Backbone interact. energy: -0.971
local terms energy: -105.556938
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -30.407
flat angles C4'-P-C4' energy: -37.924
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: 1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -156.286036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.286036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.286036 (E_RNA)
where:
Base-Base interactions energy: -55.356
where: short stacking energy: -33.470
Base-Backbone interact. energy: -0.532
local terms energy: -100.397879
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -34.526
flat angles C4'-P-C4' energy: -29.382
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -148.126765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.126765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.126765 (E_RNA)
where:
Base-Base interactions energy: -60.294
where: short stacking energy: -36.058
Base-Backbone interact. energy: 0.173
local terms energy: -88.005537
where:
bonds (distance) C4'-P energy: -29.942
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -26.563
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: 8.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -535.430046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.430046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.430046 (E_RNA)
where:
Base-Base interactions energy: -360.654
where: short stacking energy: -155.447
Base-Backbone interact. energy: -0.611
local terms energy: -174.164491
where:
bonds (distance) C4'-P energy: -33.962
bonds (distance) P-C4' energy: -33.282
flat angles C4'-P-C4' energy: -34.762
flat angles P-C4'-P energy: -25.597
tors. eta vs tors. theta energy: -46.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -517.925796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.925796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.925796 (E_RNA)
where:
Base-Base interactions energy: -331.558
where: short stacking energy: -153.272
Base-Backbone interact. energy: 1.174
local terms energy: -187.541680
where:
bonds (distance) C4'-P energy: -34.466
bonds (distance) P-C4' energy: -34.865
flat angles C4'-P-C4' energy: -42.552
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: -52.262
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: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -477.953841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.953841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.953841 (E_RNA)
where:
Base-Base interactions energy: -300.956
where: short stacking energy: -128.263
Base-Backbone interact. energy: -1.067
local terms energy: -175.931332
where:
bonds (distance) C4'-P energy: -42.267
bonds (distance) P-C4' energy: -31.469
flat angles C4'-P-C4' energy: -35.724
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -48.867
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: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -467.581614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.581614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.581614 (E_RNA)
where:
Base-Base interactions energy: -291.586
where: short stacking energy: -125.961
Base-Backbone interact. energy: -0.558
local terms energy: -175.437753
where:
bonds (distance) C4'-P energy: -37.365
bonds (distance) P-C4' energy: -32.403
flat angles C4'-P-C4' energy: -37.100
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -41.513
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: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -407.260008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.260008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.260008 (E_RNA)
where:
Base-Base interactions energy: -263.480
where: short stacking energy: -126.520
Base-Backbone interact. energy: -1.476
local terms energy: -142.304251
where:
bonds (distance) C4'-P energy: -27.822
bonds (distance) P-C4' energy: -30.635
flat angles C4'-P-C4' energy: -40.158
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -30.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -256.208201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.208201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.208201 (E_RNA)
where:
Base-Base interactions energy: -123.934
where: short stacking energy: -72.139
Base-Backbone interact. energy: -2.692
local terms energy: -129.582269
where:
bonds (distance) C4'-P energy: -36.596
bonds (distance) P-C4' energy: -36.155
flat angles C4'-P-C4' energy: -26.202
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -12.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -183.365959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.365959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.365959 (E_RNA)
where:
Base-Base interactions energy: -56.989
where: short stacking energy: -50.390
Base-Backbone interact. energy: -0.574
local terms energy: -125.802298
where:
bonds (distance) C4'-P energy: -30.445
bonds (distance) P-C4' energy: -30.854
flat angles C4'-P-C4' energy: -38.359
flat angles P-C4'-P energy: -22.802
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -172.047887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.047887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.047887 (E_RNA)
where:
Base-Base interactions energy: -64.059
where: short stacking energy: -52.921
Base-Backbone interact. energy: -0.631
local terms energy: -107.358737
where:
bonds (distance) C4'-P energy: -34.102
bonds (distance) P-C4' energy: -28.832
flat angles C4'-P-C4' energy: -28.678
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -143.029586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.029586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.029586 (E_RNA)
where:
Base-Base interactions energy: -44.639
where: short stacking energy: -44.555
Base-Backbone interact. energy: -0.653
local terms energy: -97.737395
where:
bonds (distance) C4'-P energy: -31.161
bonds (distance) P-C4' energy: -23.339
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -8.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -151.865755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.865755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.865755 (E_RNA)
where:
Base-Base interactions energy: -56.153
where: short stacking energy: -38.587
Base-Backbone interact. energy: -1.062
local terms energy: -94.650455
where:
bonds (distance) C4'-P energy: -24.714
bonds (distance) P-C4' energy: -28.203
flat angles C4'-P-C4' energy: -24.813
flat angles P-C4'-P energy: -20.166
tors. eta vs tors. theta energy: 3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -542.290432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.290432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.290432 (E_RNA)
where:
Base-Base interactions energy: -366.779
where: short stacking energy: -163.034
Base-Backbone interact. energy: 0.696
local terms energy: -176.206581
where:
bonds (distance) C4'-P energy: -35.648
bonds (distance) P-C4' energy: -35.902
flat angles C4'-P-C4' energy: -30.256
flat angles P-C4'-P energy: -25.490
tors. eta vs tors. theta energy: -48.910
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: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -504.034792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.034792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.034792 (E_RNA)
where:
Base-Base interactions energy: -327.169
where: short stacking energy: -148.783
Base-Backbone interact. energy: -1.191
local terms energy: -175.674441
where:
bonds (distance) C4'-P energy: -35.810
bonds (distance) P-C4' energy: -36.006
flat angles C4'-P-C4' energy: -32.425
flat angles P-C4'-P energy: -25.353
tors. eta vs tors. theta energy: -46.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -495.297122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.297122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.297122 (E_RNA)
where:
Base-Base interactions energy: -324.979
where: short stacking energy: -142.204
Base-Backbone interact. energy: -0.418
local terms energy: -169.900194
where:
bonds (distance) C4'-P energy: -24.221
bonds (distance) P-C4' energy: -36.305
flat angles C4'-P-C4' energy: -41.593
flat angles P-C4'-P energy: -22.931
tors. eta vs tors. theta energy: -44.851
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: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -496.641636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.641636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.641636 (E_RNA)
where:
Base-Base interactions energy: -322.815
where: short stacking energy: -153.146
Base-Backbone interact. energy: -0.330
local terms energy: -173.496596
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -31.451
flat angles C4'-P-C4' energy: -38.589
flat angles P-C4'-P energy: -24.043
tors. eta vs tors. theta energy: -54.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -379.419109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.419109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.419109 (E_RNA)
where:
Base-Base interactions energy: -226.663
where: short stacking energy: -95.826
Base-Backbone interact. energy: -0.315
local terms energy: -152.440932
where:
bonds (distance) C4'-P energy: -32.703
bonds (distance) P-C4' energy: -36.038
flat angles C4'-P-C4' energy: -34.896
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -30.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -244.905727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.905727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.905727 (E_RNA)
where:
Base-Base interactions energy: -114.524
where: short stacking energy: -61.741
Base-Backbone interact. energy: -0.556
local terms energy: -129.825361
where:
bonds (distance) C4'-P energy: -37.613
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -34.621
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -204.291111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.291111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.291111 (E_RNA)
where:
Base-Base interactions energy: -90.688
where: short stacking energy: -63.614
Base-Backbone interact. energy: -1.026
local terms energy: -112.577542
where:
bonds (distance) C4'-P energy: -31.126
bonds (distance) P-C4' energy: -32.040
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -23.952
tors. eta vs tors. theta energy: -0.924
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: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -157.411006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.411006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.411006 (E_RNA)
where:
Base-Base interactions energy: -53.543
where: short stacking energy: -45.992
Base-Backbone interact. energy: -0.582
local terms energy: -103.285628
where:
bonds (distance) C4'-P energy: -29.099
bonds (distance) P-C4' energy: -36.867
flat angles C4'-P-C4' energy: -26.169
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: 5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -159.236142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.236142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.236142 (E_RNA)
where:
Base-Base interactions energy: -55.002
where: short stacking energy: -40.689
Base-Backbone interact. energy: -0.215
local terms energy: -104.018622
where:
bonds (distance) C4'-P energy: -31.406
bonds (distance) P-C4' energy: -30.952
flat angles C4'-P-C4' energy: -28.999
flat angles P-C4'-P energy: -15.048
tors. eta vs tors. theta energy: 2.386
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: 10, replica: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -154.581907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.581907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.581907 (E_RNA)
where:
Base-Base interactions energy: -39.141
where: short stacking energy: -35.945
Base-Backbone interact. energy: 2.646
local terms energy: -118.087272
where:
bonds (distance) C4'-P energy: -34.825
bonds (distance) P-C4' energy: -34.829
flat angles C4'-P-C4' energy: -31.466
flat angles P-C4'-P energy: -21.385
tors. eta vs tors. theta energy: 4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -547.679164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.679164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.679164 (E_RNA)
where:
Base-Base interactions energy: -357.353
where: short stacking energy: -161.827
Base-Backbone interact. energy: -0.403
local terms energy: -189.923568
where:
bonds (distance) C4'-P energy: -32.429
bonds (distance) P-C4' energy: -37.020
flat angles C4'-P-C4' energy: -41.197
flat angles P-C4'-P energy: -28.237
tors. eta vs tors. theta energy: -51.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -505.440807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.440807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.440807 (E_RNA)
where:
Base-Base interactions energy: -326.040
where: short stacking energy: -150.198
Base-Backbone interact. energy: -0.807
local terms energy: -178.594061
where:
bonds (distance) C4'-P energy: -34.794
bonds (distance) P-C4' energy: -35.256
flat angles C4'-P-C4' energy: -40.015
flat angles P-C4'-P energy: -26.420
tors. eta vs tors. theta energy: -42.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -512.552876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.552876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.552876 (E_RNA)
where:
Base-Base interactions energy: -330.953
where: short stacking energy: -152.615
Base-Backbone interact. energy: -0.094
local terms energy: -181.505109
where:
bonds (distance) C4'-P energy: -34.848
bonds (distance) P-C4' energy: -36.268
flat angles C4'-P-C4' energy: -35.859
flat angles P-C4'-P energy: -19.810
tors. eta vs tors. theta energy: -54.720
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: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -491.086756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.086756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.086756 (E_RNA)
where:
Base-Base interactions energy: -317.403
where: short stacking energy: -133.056
Base-Backbone interact. energy: -1.474
local terms energy: -172.209943
where:
bonds (distance) C4'-P energy: -38.475
bonds (distance) P-C4' energy: -35.322
flat angles C4'-P-C4' energy: -33.978
flat angles P-C4'-P energy: -27.382
tors. eta vs tors. theta energy: -37.053
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: 290
Temperature: 1.100000
Total energy: -393.766505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.766505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.766505 (E_RNA)
where:
Base-Base interactions energy: -255.541
where: short stacking energy: -107.880
Base-Backbone interact. energy: -0.488
local terms energy: -137.738055
where:
bonds (distance) C4'-P energy: -31.102
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -32.454
flat angles P-C4'-P energy: -21.393
tors. eta vs tors. theta energy: -29.577
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: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -292.771577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.771577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.771577 (E_RNA)
where:
Base-Base interactions energy: -155.838
where: short stacking energy: -70.890
Base-Backbone interact. energy: 2.203
local terms energy: -139.136730
where:
bonds (distance) C4'-P energy: -29.311
bonds (distance) P-C4' energy: -38.376
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -19.977
tors. eta vs tors. theta energy: -22.292
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: 290
Temperature: 1.200000
Total energy: -203.265093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.265093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.265093 (E_RNA)
where:
Base-Base interactions energy: -86.939
where: short stacking energy: -51.484
Base-Backbone interact. energy: 0.588
local terms energy: -116.914228
where:
bonds (distance) C4'-P energy: -32.590
bonds (distance) P-C4' energy: -28.189
flat angles C4'-P-C4' energy: -32.818
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -6.284
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: 9
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -165.331150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.331150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.331150 (E_RNA)
where:
Base-Base interactions energy: -60.733
where: short stacking energy: -52.030
Base-Backbone interact. energy: -0.471
local terms energy: -104.127300
where:
bonds (distance) C4'-P energy: -26.162
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -32.116
flat angles P-C4'-P energy: -16.649
tors. eta vs tors. theta energy: -5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -172.434501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.434501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.434501 (E_RNA)
where:
Base-Base interactions energy: -73.501
where: short stacking energy: -42.044
Base-Backbone interact. energy: 4.511
local terms energy: -103.443563
where:
bonds (distance) C4'-P energy: -31.093
bonds (distance) P-C4' energy: -29.630
flat angles C4'-P-C4' energy: -31.214
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: 7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -142.707523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.707523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.707523 (E_RNA)
where:
Base-Base interactions energy: -59.703
where: short stacking energy: -30.709
Base-Backbone interact. energy: -1.338
local terms energy: -81.665783
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -33.486
flat angles C4'-P-C4' energy: -25.020
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: 11.351
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: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -537.118413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.118413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.118413 (E_RNA)
where:
Base-Base interactions energy: -365.686
where: short stacking energy: -163.302
Base-Backbone interact. energy: -0.486
local terms energy: -170.946867
where:
bonds (distance) C4'-P energy: -31.217
bonds (distance) P-C4' energy: -33.886
flat angles C4'-P-C4' energy: -33.960
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: -47.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -521.491631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.491631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.491631 (E_RNA)
where:
Base-Base interactions energy: -324.214
where: short stacking energy: -153.343
Base-Backbone interact. energy: -0.019
local terms energy: -197.259244
where:
bonds (distance) C4'-P energy: -40.121
bonds (distance) P-C4' energy: -41.535
flat angles C4'-P-C4' energy: -39.795
flat angles P-C4'-P energy: -23.425
tors. eta vs tors. theta energy: -52.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -508.862605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.862605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.862605 (E_RNA)
where:
Base-Base interactions energy: -329.236
where: short stacking energy: -163.320
Base-Backbone interact. energy: -0.156
local terms energy: -179.471038
where:
bonds (distance) C4'-P energy: -34.724
bonds (distance) P-C4' energy: -24.565
flat angles C4'-P-C4' energy: -42.762
flat angles P-C4'-P energy: -21.084
tors. eta vs tors. theta energy: -56.336
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: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -486.928597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.928597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.928597 (E_RNA)
where:
Base-Base interactions energy: -316.321
where: short stacking energy: -122.576
Base-Backbone interact. energy: -0.697
local terms energy: -169.911295
where:
bonds (distance) C4'-P energy: -37.547
bonds (distance) P-C4' energy: -37.724
flat angles C4'-P-C4' energy: -36.017
flat angles P-C4'-P energy: -26.209
tors. eta vs tors. theta energy: -32.414
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: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -386.968945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.968945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.968945 (E_RNA)
where:
Base-Base interactions energy: -242.997
where: short stacking energy: -99.121
Base-Backbone interact. energy: -1.077
local terms energy: -142.894881
where:
bonds (distance) C4'-P energy: -33.545
bonds (distance) P-C4' energy: -31.062
flat angles C4'-P-C4' energy: -31.006
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -29.503
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: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -288.490763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.490763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.490763 (E_RNA)
where:
Base-Base interactions energy: -171.031
where: short stacking energy: -90.869
Base-Backbone interact. energy: -0.879
local terms energy: -116.580256
where:
bonds (distance) C4'-P energy: -31.159
bonds (distance) P-C4' energy: -30.374
flat angles C4'-P-C4' energy: -26.271
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -188.443574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.443574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.443574 (E_RNA)
where:
Base-Base interactions energy: -74.612
where: short stacking energy: -65.916
Base-Backbone interact. energy: -0.282
local terms energy: -113.550317
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -32.520
flat angles C4'-P-C4' energy: -33.922
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -179.982305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.982305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.982305 (E_RNA)
where:
Base-Base interactions energy: -75.550
where: short stacking energy: -44.865
Base-Backbone interact. energy: -0.701
local terms energy: -103.731607
where:
bonds (distance) C4'-P energy: -33.049
bonds (distance) P-C4' energy: -24.715
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -4.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -172.378702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.378702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.378702 (E_RNA)
where:
Base-Base interactions energy: -52.713
where: short stacking energy: -39.502
Base-Backbone interact. energy: 0.593
local terms energy: -120.258418
where:
bonds (distance) C4'-P energy: -30.634
bonds (distance) P-C4' energy: -39.138
flat angles C4'-P-C4' energy: -32.054
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -2.162
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: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -148.238379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.238379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.238379 (E_RNA)
where:
Base-Base interactions energy: -49.333
where: short stacking energy: -39.723
Base-Backbone interact. energy: 0.942
local terms energy: -99.847609
where:
bonds (distance) C4'-P energy: -26.642
bonds (distance) P-C4' energy: -27.830
flat angles C4'-P-C4' energy: -28.983
flat angles P-C4'-P energy: -19.367
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: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -533.093748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.093748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.093748 (E_RNA)
where:
Base-Base interactions energy: -349.419
where: short stacking energy: -148.697
Base-Backbone interact. energy: -0.061
local terms energy: -183.613412
where:
bonds (distance) C4'-P energy: -37.089
bonds (distance) P-C4' energy: -37.593
flat angles C4'-P-C4' energy: -33.984
flat angles P-C4'-P energy: -27.502
tors. eta vs tors. theta energy: -47.447
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: 2, replica: 6
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -515.418756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.418756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.418756 (E_RNA)
where:
Base-Base interactions energy: -334.034
where: short stacking energy: -157.653
Base-Backbone interact. energy: -0.503
local terms energy: -180.881179
where:
bonds (distance) C4'-P energy: -33.221
bonds (distance) P-C4' energy: -33.016
flat angles C4'-P-C4' energy: -37.815
flat angles P-C4'-P energy: -25.315
tors. eta vs tors. theta energy: -51.514
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: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -509.132271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.132271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.132271 (E_RNA)
where:
Base-Base interactions energy: -328.211
where: short stacking energy: -158.246
Base-Backbone interact. energy: -0.133
local terms energy: -180.787643
where:
bonds (distance) C4'-P energy: -38.367
bonds (distance) P-C4' energy: -30.786
flat angles C4'-P-C4' energy: -34.832
flat angles P-C4'-P energy: -27.247
tors. eta vs tors. theta energy: -49.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -475.014360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.014360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.014360 (E_RNA)
where:
Base-Base interactions energy: -320.136
where: short stacking energy: -137.338
Base-Backbone interact. energy: -0.187
local terms energy: -154.691484
where:
bonds (distance) C4'-P energy: -26.754
bonds (distance) P-C4' energy: -33.441
flat angles C4'-P-C4' energy: -33.633
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -43.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -395.554589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.554589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.554589 (E_RNA)
where:
Base-Base interactions energy: -249.440
where: short stacking energy: -105.737
Base-Backbone interact. energy: -0.309
local terms energy: -145.805264
where:
bonds (distance) C4'-P energy: -35.286
bonds (distance) P-C4' energy: -37.724
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -27.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -280.142544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.142544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.142544 (E_RNA)
where:
Base-Base interactions energy: -141.089
where: short stacking energy: -77.756
Base-Backbone interact. energy: -0.255
local terms energy: -138.798423
where:
bonds (distance) C4'-P energy: -29.864
bonds (distance) P-C4' energy: -31.687
flat angles C4'-P-C4' energy: -38.998
flat angles P-C4'-P energy: -18.436
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -187.461999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.461999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.461999 (E_RNA)
where:
Base-Base interactions energy: -73.375
where: short stacking energy: -60.553
Base-Backbone interact. energy: 2.156
local terms energy: -116.242721
where:
bonds (distance) C4'-P energy: -26.442
bonds (distance) P-C4' energy: -29.059
flat angles C4'-P-C4' energy: -28.905
flat angles P-C4'-P energy: -25.300
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: 8, replica: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -181.561578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.561578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.561578 (E_RNA)
where:
Base-Base interactions energy: -76.576
where: short stacking energy: -49.476
Base-Backbone interact. energy: -1.061
local terms energy: -103.924673
where:
bonds (distance) C4'-P energy: -38.020
bonds (distance) P-C4' energy: -26.517
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -20.158
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -149.321320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.321320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.321320 (E_RNA)
where:
Base-Base interactions energy: -51.319
where: short stacking energy: -46.390
Base-Backbone interact. energy: 2.344
local terms energy: -100.346218
where:
bonds (distance) C4'-P energy: -29.966
bonds (distance) P-C4' energy: -32.537
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -14.597
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: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -167.598056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.598056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.598056 (E_RNA)
where:
Base-Base interactions energy: -51.948
where: short stacking energy: -30.597
Base-Backbone interact. energy: -1.938
local terms energy: -113.712092
where:
bonds (distance) C4'-P energy: -24.737
bonds (distance) P-C4' energy: -35.837
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -21.876
tors. eta vs tors. theta energy: 1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -526.425806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.425806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.425806 (E_RNA)
where:
Base-Base interactions energy: -356.047
where: short stacking energy: -159.049
Base-Backbone interact. energy: 0.988
local terms energy: -171.366170
where:
bonds (distance) C4'-P energy: -27.376
bonds (distance) P-C4' energy: -34.133
flat angles C4'-P-C4' energy: -40.836
flat angles P-C4'-P energy: -26.453
tors. eta vs tors. theta energy: -42.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -525.213851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.213851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.213851 (E_RNA)
where:
Base-Base interactions energy: -341.347
where: short stacking energy: -160.469
Base-Backbone interact. energy: 0.832
local terms energy: -184.698633
where:
bonds (distance) C4'-P energy: -33.416
bonds (distance) P-C4' energy: -37.897
flat angles C4'-P-C4' energy: -33.947
flat angles P-C4'-P energy: -25.538
tors. eta vs tors. theta energy: -53.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -498.866694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.866694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.866694 (E_RNA)
where:
Base-Base interactions energy: -321.265
where: short stacking energy: -151.485
Base-Backbone interact. energy: -0.785
local terms energy: -176.816735
where:
bonds (distance) C4'-P energy: -31.476
bonds (distance) P-C4' energy: -31.277
flat angles C4'-P-C4' energy: -40.806
flat angles P-C4'-P energy: -23.167
tors. eta vs tors. theta energy: -50.090
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: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -400.113005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.113005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.113005 (E_RNA)
where:
Base-Base interactions energy: -250.583
where: short stacking energy: -109.320
Base-Backbone interact. energy: 1.425
local terms energy: -150.955061
where:
bonds (distance) C4'-P energy: -33.454
bonds (distance) P-C4' energy: -34.851
flat angles C4'-P-C4' energy: -33.238
flat angles P-C4'-P energy: -21.054
tors. eta vs tors. theta energy: -28.358
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: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -493.679981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.679981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.679981 (E_RNA)
where:
Base-Base interactions energy: -332.990
where: short stacking energy: -135.236
Base-Backbone interact. energy: 1.283
local terms energy: -161.972805
where:
bonds (distance) C4'-P energy: -36.586
bonds (distance) P-C4' energy: -28.105
flat angles C4'-P-C4' energy: -31.619
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: -47.476
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: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -217.234066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.234066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.234066 (E_RNA)
where:
Base-Base interactions energy: -101.987
where: short stacking energy: -61.338
Base-Backbone interact. energy: 1.337
local terms energy: -116.583916
where:
bonds (distance) C4'-P energy: -21.922
bonds (distance) P-C4' energy: -31.613
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -248.034466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.034466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.034466 (E_RNA)
where:
Base-Base interactions energy: -132.842
where: short stacking energy: -58.819
Base-Backbone interact. energy: 1.495
local terms energy: -116.688073
where:
bonds (distance) C4'-P energy: -28.598
bonds (distance) P-C4' energy: -32.222
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -22.344
tors. eta vs tors. theta energy: -9.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -170.994674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.994674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.994674 (E_RNA)
where:
Base-Base interactions energy: -55.866
where: short stacking energy: -54.480
Base-Backbone interact. energy: -0.320
local terms energy: -114.809057
where:
bonds (distance) C4'-P energy: -26.615
bonds (distance) P-C4' energy: -27.716
flat angles C4'-P-C4' energy: -32.507
flat angles P-C4'-P energy: -23.945
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -153.268922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.268922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.268922 (E_RNA)
where:
Base-Base interactions energy: -45.186
where: short stacking energy: -44.215
Base-Backbone interact. energy: -0.406
local terms energy: -107.676631
where:
bonds (distance) C4'-P energy: -31.645
bonds (distance) P-C4' energy: -31.982
flat angles C4'-P-C4' energy: -33.558
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: 0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -149.141166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.141166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.141166 (E_RNA)
where:
Base-Base interactions energy: -48.323
where: short stacking energy: -22.824
Base-Backbone interact. energy: 1.570
local terms energy: -102.388527
where:
bonds (distance) C4'-P energy: -33.047
bonds (distance) P-C4' energy: -34.559
flat angles C4'-P-C4' energy: -22.333
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: 5.791
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: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -534.480182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.480182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.480182 (E_RNA)
where:
Base-Base interactions energy: -347.407
where: short stacking energy: -148.698
Base-Backbone interact. energy: 0.156
local terms energy: -187.228938
where:
bonds (distance) C4'-P energy: -35.967
bonds (distance) P-C4' energy: -37.914
flat angles C4'-P-C4' energy: -40.837
flat angles P-C4'-P energy: -29.723
tors. eta vs tors. theta energy: -42.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -512.798383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.798383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.798383 (E_RNA)
where:
Base-Base interactions energy: -329.737
where: short stacking energy: -160.456
Base-Backbone interact. energy: -0.006
local terms energy: -183.055703
where:
bonds (distance) C4'-P energy: -37.399
bonds (distance) P-C4' energy: -30.321
flat angles C4'-P-C4' energy: -34.944
flat angles P-C4'-P energy: -31.935
tors. eta vs tors. theta energy: -48.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -503.889511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.889511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.889511 (E_RNA)
where:
Base-Base interactions energy: -324.157
where: short stacking energy: -142.009
Base-Backbone interact. energy: -0.748
local terms energy: -178.984500
where:
bonds (distance) C4'-P energy: -31.612
bonds (distance) P-C4' energy: -39.725
flat angles C4'-P-C4' energy: -34.146
flat angles P-C4'-P energy: -25.265
tors. eta vs tors. theta energy: -48.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -441.707799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.707799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.707799 (E_RNA)
where:
Base-Base interactions energy: -276.807
where: short stacking energy: -111.410
Base-Backbone interact. energy: -0.679
local terms energy: -164.222629
where:
bonds (distance) C4'-P energy: -29.205
bonds (distance) P-C4' energy: -32.020
flat angles C4'-P-C4' energy: -38.605
flat angles P-C4'-P energy: -26.186
tors. eta vs tors. theta energy: -38.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -446.871578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.871578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.871578 (E_RNA)
where:
Base-Base interactions energy: -305.448
where: short stacking energy: -120.172
Base-Backbone interact. energy: -0.439
local terms energy: -140.984851
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -38.358
flat angles C4'-P-C4' energy: -38.347
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -38.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -208.429721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.429721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.429721 (E_RNA)
where:
Base-Base interactions energy: -98.295
where: short stacking energy: -49.328
Base-Backbone interact. energy: -0.773
local terms energy: -109.361629
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -33.235
flat angles C4'-P-C4' energy: -32.775
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -207.974752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.974752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.974752 (E_RNA)
where:
Base-Base interactions energy: -91.892
where: short stacking energy: -53.932
Base-Backbone interact. energy: -0.878
local terms energy: -115.204281
where:
bonds (distance) C4'-P energy: -31.594
bonds (distance) P-C4' energy: -34.522
flat angles C4'-P-C4' energy: -27.586
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -6.578
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: 8, replica: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -228.660431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.660431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.660431 (E_RNA)
where:
Base-Base interactions energy: -117.703
where: short stacking energy: -55.464
Base-Backbone interact. energy: -1.182
local terms energy: -109.775605
where:
bonds (distance) C4'-P energy: -22.225
bonds (distance) P-C4' energy: -24.385
flat angles C4'-P-C4' energy: -26.700
flat angles P-C4'-P energy: -26.060
tors. eta vs tors. theta energy: -10.405
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: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -190.344246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.344246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.344246 (E_RNA)
where:
Base-Base interactions energy: -75.395
where: short stacking energy: -58.654
Base-Backbone interact. energy: -1.033
local terms energy: -113.916157
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -30.050
flat angles C4'-P-C4' energy: -26.301
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -134.554957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.554957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.554957 (E_RNA)
where:
Base-Base interactions energy: -43.688
where: short stacking energy: -42.558
Base-Backbone interact. energy: 1.035
local terms energy: -91.901905
where:
bonds (distance) C4'-P energy: -30.405
bonds (distance) P-C4' energy: -35.009
flat angles C4'-P-C4' energy: -26.257
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: 3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -539.770989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.770989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.770989 (E_RNA)
where:
Base-Base interactions energy: -363.671
where: short stacking energy: -145.973
Base-Backbone interact. energy: 0.097
local terms energy: -176.196427
where:
bonds (distance) C4'-P energy: -33.249
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -35.264
flat angles P-C4'-P energy: -32.434
tors. eta vs tors. theta energy: -42.281
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: 6
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -513.496140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.496140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.496140 (E_RNA)
where:
Base-Base interactions energy: -336.236
where: short stacking energy: -138.354
Base-Backbone interact. energy: -1.498
local terms energy: -175.762167
where:
bonds (distance) C4'-P energy: -30.945
bonds (distance) P-C4' energy: -31.014
flat angles C4'-P-C4' energy: -36.715
flat angles P-C4'-P energy: -25.643
tors. eta vs tors. theta energy: -51.445
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: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -489.949536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.949536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.949536 (E_RNA)
where:
Base-Base interactions energy: -316.184
where: short stacking energy: -145.888
Base-Backbone interact. energy: -0.112
local terms energy: -173.653435
where:
bonds (distance) C4'-P energy: -29.627
bonds (distance) P-C4' energy: -32.361
flat angles C4'-P-C4' energy: -38.163
flat angles P-C4'-P energy: -27.230
tors. eta vs tors. theta energy: -46.273
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: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -461.399768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.399768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.399768 (E_RNA)
where:
Base-Base interactions energy: -306.575
where: short stacking energy: -122.765
Base-Backbone interact. energy: 7.166
local terms energy: -161.990985
where:
bonds (distance) C4'-P energy: -35.181
bonds (distance) P-C4' energy: -34.103
flat angles C4'-P-C4' energy: -29.427
flat angles P-C4'-P energy: -24.987
tors. eta vs tors. theta energy: -38.293
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: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -428.589631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.589631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.589631 (E_RNA)
where:
Base-Base interactions energy: -276.155
where: short stacking energy: -117.252
Base-Backbone interact. energy: -0.039
local terms energy: -152.395267
where:
bonds (distance) C4'-P energy: -33.632
bonds (distance) P-C4' energy: -29.948
flat angles C4'-P-C4' energy: -33.219
flat angles P-C4'-P energy: -26.357
tors. eta vs tors. theta energy: -29.240
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: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -224.834544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.834544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.834544 (E_RNA)
where:
Base-Base interactions energy: -102.082
where: short stacking energy: -79.263
Base-Backbone interact. energy: -0.037
local terms energy: -122.715905
where:
bonds (distance) C4'-P energy: -28.481
bonds (distance) P-C4' energy: -26.460
flat angles C4'-P-C4' energy: -32.762
flat angles P-C4'-P energy: -23.349
tors. eta vs tors. theta energy: -11.664
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: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -234.423163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.423163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.423163 (E_RNA)
where:
Base-Base interactions energy: -100.088
where: short stacking energy: -62.846
Base-Backbone interact. energy: -0.310
local terms energy: -134.025470
where:
bonds (distance) C4'-P energy: -38.526
bonds (distance) P-C4' energy: -37.857
flat angles C4'-P-C4' energy: -30.513
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -169.291532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.291532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.291532 (E_RNA)
where:
Base-Base interactions energy: -57.394
where: short stacking energy: -44.823
Base-Backbone interact. energy: 0.193
local terms energy: -112.090039
where:
bonds (distance) C4'-P energy: -31.822
bonds (distance) P-C4' energy: -37.675
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -0.165
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: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -200.431976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.431976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.431976 (E_RNA)
where:
Base-Base interactions energy: -100.503
where: short stacking energy: -50.700
Base-Backbone interact. energy: -1.070
local terms energy: -98.858370
where:
bonds (distance) C4'-P energy: -25.373
bonds (distance) P-C4' energy: -34.918
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -3.910
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: 295
Temperature: 1.350000
Total energy: -146.700778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.700778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.700778 (E_RNA)
where:
Base-Base interactions energy: -44.132
where: short stacking energy: -36.878
Base-Backbone interact. energy: -0.492
local terms energy: -102.077228
where:
bonds (distance) C4'-P energy: -22.476
bonds (distance) P-C4' energy: -29.909
flat angles C4'-P-C4' energy: -26.788
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -1.511
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: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -540.485915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.485915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.485915 (E_RNA)
where:
Base-Base interactions energy: -363.454
where: short stacking energy: -157.960
Base-Backbone interact. energy: -3.021
local terms energy: -174.010086
where:
bonds (distance) C4'-P energy: -32.973
bonds (distance) P-C4' energy: -36.392
flat angles C4'-P-C4' energy: -40.585
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -44.958
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: 2, replica: 6
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -519.088206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.088206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.088206 (E_RNA)
where:
Base-Base interactions energy: -330.637
where: short stacking energy: -159.284
Base-Backbone interact. energy: -1.255
local terms energy: -187.196019
where:
bonds (distance) C4'-P energy: -32.979
bonds (distance) P-C4' energy: -31.920
flat angles C4'-P-C4' energy: -38.063
flat angles P-C4'-P energy: -30.811
tors. eta vs tors. theta energy: -53.422
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: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -469.346451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.346451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.346451 (E_RNA)
where:
Base-Base interactions energy: -309.996
where: short stacking energy: -117.144
Base-Backbone interact. energy: -0.593
local terms energy: -158.757782
where:
bonds (distance) C4'-P energy: -34.411
bonds (distance) P-C4' energy: -37.158
flat angles C4'-P-C4' energy: -35.128
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -34.136
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: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -477.365460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.365460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.365460 (E_RNA)
where:
Base-Base interactions energy: -295.163
where: short stacking energy: -139.372
Base-Backbone interact. energy: -0.127
local terms energy: -182.076193
where:
bonds (distance) C4'-P energy: -32.990
bonds (distance) P-C4' energy: -39.285
flat angles C4'-P-C4' energy: -35.797
flat angles P-C4'-P energy: -22.562
tors. eta vs tors. theta energy: -51.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -419.887197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.887197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.887197 (E_RNA)
where:
Base-Base interactions energy: -258.658
where: short stacking energy: -116.617
Base-Backbone interact. energy: 2.035
local terms energy: -163.264131
where:
bonds (distance) C4'-P energy: -38.039
bonds (distance) P-C4' energy: -33.372
flat angles C4'-P-C4' energy: -34.699
flat angles P-C4'-P energy: -23.270
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: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -205.092450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.092450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.092450 (E_RNA)
where:
Base-Base interactions energy: -79.230
where: short stacking energy: -60.238
Base-Backbone interact. energy: -1.857
local terms energy: -124.006293
where:
bonds (distance) C4'-P energy: -36.509
bonds (distance) P-C4' energy: -29.114
flat angles C4'-P-C4' energy: -34.632
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: -19.172
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: 296
Temperature: 1.200000
Total energy: -185.943054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.943054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.943054 (E_RNA)
where:
Base-Base interactions energy: -71.541
where: short stacking energy: -49.138
Base-Backbone interact. energy: -0.651
local terms energy: -113.751380
where:
bonds (distance) C4'-P energy: -28.991
bonds (distance) P-C4' energy: -30.795
flat angles C4'-P-C4' energy: -27.670
flat angles P-C4'-P energy: -21.141
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -170.350545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.350545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.350545 (E_RNA)
where:
Base-Base interactions energy: -58.234
where: short stacking energy: -52.078
Base-Backbone interact. energy: -0.665
local terms energy: -111.451609
where:
bonds (distance) C4'-P energy: -31.480
bonds (distance) P-C4' energy: -34.290
flat angles C4'-P-C4' energy: -30.518
flat angles P-C4'-P energy: -18.978
tors. eta vs tors. theta energy: 3.814
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: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -153.444388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.444388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.444388 (E_RNA)
where:
Base-Base interactions energy: -41.284
where: short stacking energy: -36.761
Base-Backbone interact. energy: -0.128
local terms energy: -112.031725
where:
bonds (distance) C4'-P energy: -32.525
bonds (distance) P-C4' energy: -35.417
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: 1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -150.866663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.866663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.866663 (E_RNA)
where:
Base-Base interactions energy: -49.054
where: short stacking energy: -35.886
Base-Backbone interact. energy: -0.367
local terms energy: -101.445198
where:
bonds (distance) C4'-P energy: -29.506
bonds (distance) P-C4' energy: -29.739
flat angles C4'-P-C4' energy: -29.420
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: 6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -542.683678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.683678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.683678 (E_RNA)
where:
Base-Base interactions energy: -371.116
where: short stacking energy: -161.610
Base-Backbone interact. energy: -0.695
local terms energy: -170.873152
where:
bonds (distance) C4'-P energy: -31.148
bonds (distance) P-C4' energy: -32.994
flat angles C4'-P-C4' energy: -39.251
flat angles P-C4'-P energy: -24.850
tors. eta vs tors. theta energy: -42.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -477.049732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.049732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.049732 (E_RNA)
where:
Base-Base interactions energy: -335.041
where: short stacking energy: -127.227
Base-Backbone interact. energy: -0.721
local terms energy: -141.287696
where:
bonds (distance) C4'-P energy: -24.779
bonds (distance) P-C4' energy: -28.804
flat angles C4'-P-C4' energy: -30.921
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: -34.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -495.928106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.928106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.928106 (E_RNA)
where:
Base-Base interactions energy: -329.702
where: short stacking energy: -154.016
Base-Backbone interact. energy: -0.089
local terms energy: -166.136890
where:
bonds (distance) C4'-P energy: -23.288
bonds (distance) P-C4' energy: -31.537
flat angles C4'-P-C4' energy: -39.525
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -54.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -484.285662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.285662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.285662 (E_RNA)
where:
Base-Base interactions energy: -308.111
where: short stacking energy: -150.889
Base-Backbone interact. energy: -0.341
local terms energy: -175.834559
where:
bonds (distance) C4'-P energy: -30.895
bonds (distance) P-C4' energy: -37.076
flat angles C4'-P-C4' energy: -33.906
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -52.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -396.877254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.877254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.877254 (E_RNA)
where:
Base-Base interactions energy: -246.726
where: short stacking energy: -110.472
Base-Backbone interact. energy: -0.277
local terms energy: -149.873868
where:
bonds (distance) C4'-P energy: -26.265
bonds (distance) P-C4' energy: -30.425
flat angles C4'-P-C4' energy: -40.050
flat angles P-C4'-P energy: -21.460
tors. eta vs tors. theta energy: -31.673
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: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -203.767292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.767292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.767292 (E_RNA)
where:
Base-Base interactions energy: -85.139
where: short stacking energy: -52.597
Base-Backbone interact. energy: -0.480
local terms energy: -118.148187
where:
bonds (distance) C4'-P energy: -37.410
bonds (distance) P-C4' energy: -35.231
flat angles C4'-P-C4' energy: -29.191
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -1.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -207.417023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.417023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.417023 (E_RNA)
where:
Base-Base interactions energy: -104.967
where: short stacking energy: -76.745
Base-Backbone interact. energy: -0.258
local terms energy: -102.191471
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -30.208
flat angles C4'-P-C4' energy: -25.215
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -9.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -173.876436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.876436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.876436 (E_RNA)
where:
Base-Base interactions energy: -60.458
where: short stacking energy: -43.587
Base-Backbone interact. energy: 4.231
local terms energy: -117.649450
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -36.103
flat angles C4'-P-C4' energy: -31.585
flat angles P-C4'-P energy: -19.025
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -155.266588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.266588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.266588 (E_RNA)
where:
Base-Base interactions energy: -50.843
where: short stacking energy: -44.651
Base-Backbone interact. energy: -0.054
local terms energy: -104.369079
where:
bonds (distance) C4'-P energy: -32.133
bonds (distance) P-C4' energy: -32.745
flat angles C4'-P-C4' energy: -29.999
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: 3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -149.828236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.828236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.828236 (E_RNA)
where:
Base-Base interactions energy: -48.092
where: short stacking energy: -36.967
Base-Backbone interact. energy: -0.964
local terms energy: -100.771907
where:
bonds (distance) C4'-P energy: -28.228
bonds (distance) P-C4' energy: -27.618
flat angles C4'-P-C4' energy: -25.568
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -548.281341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.281341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.281341 (E_RNA)
where:
Base-Base interactions energy: -361.167
where: short stacking energy: -163.057
Base-Backbone interact. energy: -0.693
local terms energy: -186.421945
where:
bonds (distance) C4'-P energy: -32.958
bonds (distance) P-C4' energy: -36.041
flat angles C4'-P-C4' energy: -42.811
flat angles P-C4'-P energy: -28.118
tors. eta vs tors. theta energy: -46.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -463.098453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.098453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.098453 (E_RNA)
where:
Base-Base interactions energy: -303.484
where: short stacking energy: -127.547
Base-Backbone interact. energy: -0.509
local terms energy: -159.105330
where:
bonds (distance) C4'-P energy: -32.522
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -34.453
flat angles P-C4'-P energy: -25.429
tors. eta vs tors. theta energy: -31.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -507.179948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.179948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.179948 (E_RNA)
where:
Base-Base interactions energy: -329.149
where: short stacking energy: -166.886
Base-Backbone interact. energy: 0.216
local terms energy: -178.247802
where:
bonds (distance) C4'-P energy: -28.801
bonds (distance) P-C4' energy: -30.632
flat angles C4'-P-C4' energy: -36.516
flat angles P-C4'-P energy: -26.544
tors. eta vs tors. theta energy: -55.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -470.930512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.930512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.930512 (E_RNA)
where:
Base-Base interactions energy: -293.351
where: short stacking energy: -143.496
Base-Backbone interact. energy: -0.489
local terms energy: -177.090699
where:
bonds (distance) C4'-P energy: -29.779
bonds (distance) P-C4' energy: -39.855
flat angles C4'-P-C4' energy: -38.598
flat angles P-C4'-P energy: -24.295
tors. eta vs tors. theta energy: -44.564
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: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -401.182711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.182711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.182711 (E_RNA)
where:
Base-Base interactions energy: -243.628
where: short stacking energy: -103.521
Base-Backbone interact. energy: -0.661
local terms energy: -156.892925
where:
bonds (distance) C4'-P energy: -37.265
bonds (distance) P-C4' energy: -35.979
flat angles C4'-P-C4' energy: -27.584
flat angles P-C4'-P energy: -25.603
tors. eta vs tors. theta energy: -30.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -208.984987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.984987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.984987 (E_RNA)
where:
Base-Base interactions energy: -69.904
where: short stacking energy: -67.805
Base-Backbone interact. energy: -0.187
local terms energy: -138.894467
where:
bonds (distance) C4'-P energy: -30.731
bonds (distance) P-C4' energy: -37.643
flat angles C4'-P-C4' energy: -31.144
flat angles P-C4'-P energy: -26.632
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -200.001329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.001329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.001329 (E_RNA)
where:
Base-Base interactions energy: -85.797
where: short stacking energy: -40.411
Base-Backbone interact. energy: 0.755
local terms energy: -114.959299
where:
bonds (distance) C4'-P energy: -33.589
bonds (distance) P-C4' energy: -26.787
flat angles C4'-P-C4' energy: -35.222
flat angles P-C4'-P energy: -19.802
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: 8, replica: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -203.960467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.960467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.960467 (E_RNA)
where:
Base-Base interactions energy: -86.691
where: short stacking energy: -57.913
Base-Backbone interact. energy: 0.314
local terms energy: -117.583047
where:
bonds (distance) C4'-P energy: -36.483
bonds (distance) P-C4' energy: -32.166
flat angles C4'-P-C4' energy: -30.946
flat angles P-C4'-P energy: -5.958
tors. eta vs tors. theta energy: -12.031
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: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -156.019375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.019375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.019375 (E_RNA)
where:
Base-Base interactions energy: -56.884
where: short stacking energy: -39.142
Base-Backbone interact. energy: -1.611
local terms energy: -97.524416
where:
bonds (distance) C4'-P energy: -36.599
bonds (distance) P-C4' energy: -30.084
flat angles C4'-P-C4' energy: -27.203
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: 9.242
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: 10, replica: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -140.557532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.557532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.557532 (E_RNA)
where:
Base-Base interactions energy: -42.476
where: short stacking energy: -35.701
Base-Backbone interact. energy: 0.977
local terms energy: -99.058020
where:
bonds (distance) C4'-P energy: -27.002
bonds (distance) P-C4' energy: -35.756
flat angles C4'-P-C4' energy: -26.314
flat angles P-C4'-P energy: -18.064
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: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -546.552176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.552176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.552176 (E_RNA)
where:
Base-Base interactions energy: -359.443
where: short stacking energy: -166.693
Base-Backbone interact. energy: -0.328
local terms energy: -186.781967
where:
bonds (distance) C4'-P energy: -35.784
bonds (distance) P-C4' energy: -33.096
flat angles C4'-P-C4' energy: -37.126
flat angles P-C4'-P energy: -33.726
tors. eta vs tors. theta energy: -47.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -502.390785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.390785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.390785 (E_RNA)
where:
Base-Base interactions energy: -327.148
where: short stacking energy: -164.779
Base-Backbone interact. energy: -0.130
local terms energy: -175.112208
where:
bonds (distance) C4'-P energy: -30.387
bonds (distance) P-C4' energy: -32.066
flat angles C4'-P-C4' energy: -38.260
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -50.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -448.345580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.345580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.345580 (E_RNA)
where:
Base-Base interactions energy: -303.246
where: short stacking energy: -135.793
Base-Backbone interact. energy: -0.298
local terms energy: -144.801397
where:
bonds (distance) C4'-P energy: -31.970
bonds (distance) P-C4' energy: -30.721
flat angles C4'-P-C4' energy: -33.071
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -35.820
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: 4, replica: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -473.042323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.042323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.042323 (E_RNA)
where:
Base-Base interactions energy: -315.947
where: short stacking energy: -155.849
Base-Backbone interact. energy: -0.182
local terms energy: -156.913116
where:
bonds (distance) C4'-P energy: -32.585
bonds (distance) P-C4' energy: -27.853
flat angles C4'-P-C4' energy: -31.643
flat angles P-C4'-P energy: -19.815
tors. eta vs tors. theta energy: -45.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -343.229269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.229269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.229269 (E_RNA)
where:
Base-Base interactions energy: -193.482
where: short stacking energy: -107.865
Base-Backbone interact. energy: 0.380
local terms energy: -150.127183
where:
bonds (distance) C4'-P energy: -35.222
bonds (distance) P-C4' energy: -31.799
flat angles C4'-P-C4' energy: -37.731
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -26.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -241.346874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.346874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.346874 (E_RNA)
where:
Base-Base interactions energy: -119.494
where: short stacking energy: -71.547
Base-Backbone interact. energy: -0.741
local terms energy: -121.111845
where:
bonds (distance) C4'-P energy: -26.543
bonds (distance) P-C4' energy: -29.790
flat angles C4'-P-C4' energy: -31.440
flat angles P-C4'-P energy: -22.306
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -175.418643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.418643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.418643 (E_RNA)
where:
Base-Base interactions energy: -60.708
where: short stacking energy: -39.440
Base-Backbone interact. energy: -0.366
local terms energy: -114.344078
where:
bonds (distance) C4'-P energy: -22.866
bonds (distance) P-C4' energy: -38.131
flat angles C4'-P-C4' energy: -31.238
flat angles P-C4'-P energy: -22.083
tors. eta vs tors. theta energy: -0.026
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: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -167.517926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.517926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.517926 (E_RNA)
where:
Base-Base interactions energy: -49.871
where: short stacking energy: -45.843
Base-Backbone interact. energy: -0.204
local terms energy: -117.442927
where:
bonds (distance) C4'-P energy: -30.202
bonds (distance) P-C4' energy: -38.634
flat angles C4'-P-C4' energy: -27.196
flat angles P-C4'-P energy: -22.339
tors. eta vs tors. theta energy: 0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -174.459470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.459470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.459470 (E_RNA)
where:
Base-Base interactions energy: -70.435
where: short stacking energy: -55.113
Base-Backbone interact. energy: -0.316
local terms energy: -103.708595
where:
bonds (distance) C4'-P energy: -26.291
bonds (distance) P-C4' energy: -32.480
flat angles C4'-P-C4' energy: -24.543
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -147.011394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.011394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.011394 (E_RNA)
where:
Base-Base interactions energy: -48.706
where: short stacking energy: -47.725
Base-Backbone interact. energy: -0.306
local terms energy: -97.999800
where:
bonds (distance) C4'-P energy: -34.265
bonds (distance) P-C4' energy: -31.479
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -15.130
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -534.530112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.530112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.530112 (E_RNA)
where:
Base-Base interactions energy: -357.422
where: short stacking energy: -159.880
Base-Backbone interact. energy: -0.588
local terms energy: -176.520043
where:
bonds (distance) C4'-P energy: -34.857
bonds (distance) P-C4' energy: -35.197
flat angles C4'-P-C4' energy: -36.165
flat angles P-C4'-P energy: -23.348
tors. eta vs tors. theta energy: -46.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -493.825530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.825530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.825530 (E_RNA)
where:
Base-Base interactions energy: -319.204
where: short stacking energy: -130.317
Base-Backbone interact. energy: 0.186
local terms energy: -174.808212
where:
bonds (distance) C4'-P energy: -36.873
bonds (distance) P-C4' energy: -32.005
flat angles C4'-P-C4' energy: -41.862
flat angles P-C4'-P energy: -23.379
tors. eta vs tors. theta energy: -40.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -482.779776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.779776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.779776 (E_RNA)
where:
Base-Base interactions energy: -299.651
where: short stacking energy: -138.621
Base-Backbone interact. energy: -0.145
local terms energy: -182.983949
where:
bonds (distance) C4'-P energy: -33.336
bonds (distance) P-C4' energy: -34.240
flat angles C4'-P-C4' energy: -39.077
flat angles P-C4'-P energy: -28.981
tors. eta vs tors. theta energy: -47.350
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: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -450.133537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.133537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.133537 (E_RNA)
where:
Base-Base interactions energy: -279.898
where: short stacking energy: -126.204
Base-Backbone interact. energy: -0.319
local terms energy: -169.916616
where:
bonds (distance) C4'-P energy: -37.010
bonds (distance) P-C4' energy: -37.144
flat angles C4'-P-C4' energy: -30.791
flat angles P-C4'-P energy: -24.213
tors. eta vs tors. theta energy: -40.758
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: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -351.549692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.549692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.549692 (E_RNA)
where:
Base-Base interactions energy: -203.216
where: short stacking energy: -99.864
Base-Backbone interact. energy: 1.371
local terms energy: -149.704651
where:
bonds (distance) C4'-P energy: -34.459
bonds (distance) P-C4' energy: -37.105
flat angles C4'-P-C4' energy: -37.235
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -32.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -254.934616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.934616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.934616 (E_RNA)
where:
Base-Base interactions energy: -129.786
where: short stacking energy: -63.221
Base-Backbone interact. energy: 0.607
local terms energy: -125.755061
where:
bonds (distance) C4'-P energy: -31.719
bonds (distance) P-C4' energy: -32.132
flat angles C4'-P-C4' energy: -34.909
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: -9.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -191.563518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.563518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.563518 (E_RNA)
where:
Base-Base interactions energy: -77.600
where: short stacking energy: -52.623
Base-Backbone interact. energy: -0.413
local terms energy: -113.550978
where:
bonds (distance) C4'-P energy: -38.767
bonds (distance) P-C4' energy: -29.731
flat angles C4'-P-C4' energy: -24.614
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -158.878217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.878217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.878217 (E_RNA)
where:
Base-Base interactions energy: -50.134
where: short stacking energy: -47.309
Base-Backbone interact. energy: 0.328
local terms energy: -109.072250
where:
bonds (distance) C4'-P energy: -27.592
bonds (distance) P-C4' energy: -33.371
flat angles C4'-P-C4' energy: -26.436
flat angles P-C4'-P energy: -21.691
tors. eta vs tors. theta energy: 0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -157.082902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.082902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.082902 (E_RNA)
where:
Base-Base interactions energy: -52.406
where: short stacking energy: -48.031
Base-Backbone interact. energy: 0.009
local terms energy: -104.686390
where:
bonds (distance) C4'-P energy: -21.562
bonds (distance) P-C4' energy: -38.260
flat angles C4'-P-C4' energy: -28.566
flat angles P-C4'-P energy: -20.996
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: 2
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -156.678731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.678731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.678731 (E_RNA)
where:
Base-Base interactions energy: -44.570
where: short stacking energy: -39.973
Base-Backbone interact. energy: -0.088
local terms energy: -112.020592
where:
bonds (distance) C4'-P energy: -29.599
bonds (distance) P-C4' energy: -34.499
flat angles C4'-P-C4' energy: -28.146
flat angles P-C4'-P energy: -20.765
tors. eta vs tors. theta energy: 0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -527.337828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.337828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.337828 (E_RNA)
where:
Base-Base interactions energy: -364.809
where: short stacking energy: -152.011
Base-Backbone interact. energy: -0.406
local terms energy: -162.122526
where:
bonds (distance) C4'-P energy: -32.916
bonds (distance) P-C4' energy: -30.034
flat angles C4'-P-C4' energy: -32.653
flat angles P-C4'-P energy: -21.474
tors. eta vs tors. theta energy: -45.045
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: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -500.622822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.622822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.622822 (E_RNA)
where:
Base-Base interactions energy: -323.075
where: short stacking energy: -133.656
Base-Backbone interact. energy: 0.285
local terms energy: -177.832193
where:
bonds (distance) C4'-P energy: -31.471
bonds (distance) P-C4' energy: -38.508
flat angles C4'-P-C4' energy: -40.857
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -46.325
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: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -501.021993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.021993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.021993 (E_RNA)
where:
Base-Base interactions energy: -315.783
where: short stacking energy: -148.924
Base-Backbone interact. energy: 0.669
local terms energy: -185.907984
where:
bonds (distance) C4'-P energy: -33.247
bonds (distance) P-C4' energy: -36.418
flat angles C4'-P-C4' energy: -38.620
flat angles P-C4'-P energy: -27.062
tors. eta vs tors. theta energy: -50.561
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: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -472.382084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.382084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.382084 (E_RNA)
where:
Base-Base interactions energy: -298.766
where: short stacking energy: -134.992
Base-Backbone interact. energy: 0.252
local terms energy: -173.868191
where:
bonds (distance) C4'-P energy: -34.894
bonds (distance) P-C4' energy: -34.353
flat angles C4'-P-C4' energy: -40.091
flat angles P-C4'-P energy: -19.521
tors. eta vs tors. theta energy: -45.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -385.505975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.505975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.505975 (E_RNA)
where:
Base-Base interactions energy: -230.703
where: short stacking energy: -110.828
Base-Backbone interact. energy: -1.443
local terms energy: -153.359826
where:
bonds (distance) C4'-P energy: -38.139
bonds (distance) P-C4' energy: -29.615
flat angles C4'-P-C4' energy: -33.053
flat angles P-C4'-P energy: -21.163
tors. eta vs tors. theta energy: -31.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -265.763486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.763486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.763486 (E_RNA)
where:
Base-Base interactions energy: -128.375
where: short stacking energy: -76.459
Base-Backbone interact. energy: -1.172
local terms energy: -136.216225
where:
bonds (distance) C4'-P energy: -29.485
bonds (distance) P-C4' energy: -38.512
flat angles C4'-P-C4' energy: -31.411
flat angles P-C4'-P energy: -29.378
tors. eta vs tors. theta energy: -7.430
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: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -194.411255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.411255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.411255 (E_RNA)
where:
Base-Base interactions energy: -76.047
where: short stacking energy: -69.834
Base-Backbone interact. energy: 0.567
local terms energy: -118.931506
where:
bonds (distance) C4'-P energy: -33.432
bonds (distance) P-C4' energy: -27.574
flat angles C4'-P-C4' energy: -29.979
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -13.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -162.564194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.564194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.564194 (E_RNA)
where:
Base-Base interactions energy: -57.115
where: short stacking energy: -42.433
Base-Backbone interact. energy: 3.717
local terms energy: -109.166143
where:
bonds (distance) C4'-P energy: -32.080
bonds (distance) P-C4' energy: -39.069
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: 4.998
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: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -164.763850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.763850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.763850 (E_RNA)
where:
Base-Base interactions energy: -52.457
where: short stacking energy: -51.696
Base-Backbone interact. energy: -0.418
local terms energy: -111.888777
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -32.509
flat angles C4'-P-C4' energy: -25.273
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -8.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -132.915254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.915254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.915254 (E_RNA)
where:
Base-Base interactions energy: -50.097
where: short stacking energy: -32.327
Base-Backbone interact. energy: -0.615
local terms energy: -82.203810
where:
bonds (distance) C4'-P energy: -27.359
bonds (distance) P-C4' energy: -29.130
flat angles C4'-P-C4' energy: -26.266
flat angles P-C4'-P energy: -4.420
tors. eta vs tors. theta energy: 4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -539.001115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.001115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.001115 (E_RNA)
where:
Base-Base interactions energy: -344.461
where: short stacking energy: -146.454
Base-Backbone interact. energy: -2.054
local terms energy: -192.486567
where:
bonds (distance) C4'-P energy: -35.740
bonds (distance) P-C4' energy: -37.270
flat angles C4'-P-C4' energy: -41.150
flat angles P-C4'-P energy: -25.390
tors. eta vs tors. theta energy: -52.936
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: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -517.274308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.274308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.274308 (E_RNA)
where:
Base-Base interactions energy: -353.642
where: short stacking energy: -143.432
Base-Backbone interact. energy: -0.401
local terms energy: -163.230949
where:
bonds (distance) C4'-P energy: -27.075
bonds (distance) P-C4' energy: -26.360
flat angles C4'-P-C4' energy: -35.917
flat angles P-C4'-P energy: -31.084
tors. eta vs tors. theta energy: -42.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -508.377393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.377393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.377393 (E_RNA)
where:
Base-Base interactions energy: -335.535
where: short stacking energy: -155.918
Base-Backbone interact. energy: -0.157
local terms energy: -172.684944
where:
bonds (distance) C4'-P energy: -30.104
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -37.370
flat angles P-C4'-P energy: -24.655
tors. eta vs tors. theta energy: -53.716
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: 8
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -454.466628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.466628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.466628 (E_RNA)
where:
Base-Base interactions energy: -292.106
where: short stacking energy: -127.668
Base-Backbone interact. energy: -1.317
local terms energy: -161.043295
where:
bonds (distance) C4'-P energy: -35.892
bonds (distance) P-C4' energy: -28.615
flat angles C4'-P-C4' energy: -36.203
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -35.380
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: 5, replica: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -334.830666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.830666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.830666 (E_RNA)
where:
Base-Base interactions energy: -203.478
where: short stacking energy: -86.013
Base-Backbone interact. energy: -0.005
local terms energy: -131.347900
where:
bonds (distance) C4'-P energy: -37.046
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -32.142
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -201.768808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.768808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.768808 (E_RNA)
where:
Base-Base interactions energy: -83.013
where: short stacking energy: -56.826
Base-Backbone interact. energy: -0.923
local terms energy: -117.832925
where:
bonds (distance) C4'-P energy: -33.743
bonds (distance) P-C4' energy: -37.588
flat angles C4'-P-C4' energy: -30.780
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: 1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -187.558006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.558006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.558006 (E_RNA)
where:
Base-Base interactions energy: -65.569
where: short stacking energy: -63.775
Base-Backbone interact. energy: -0.687
local terms energy: -121.301849
where:
bonds (distance) C4'-P energy: -30.258
bonds (distance) P-C4' energy: -35.025
flat angles C4'-P-C4' energy: -36.567
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -169.608284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.608284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.608284 (E_RNA)
where:
Base-Base interactions energy: -50.653
where: short stacking energy: -50.653
Base-Backbone interact. energy: 0.776
local terms energy: -119.731413
where:
bonds (distance) C4'-P energy: -32.423
bonds (distance) P-C4' energy: -36.939
flat angles C4'-P-C4' energy: -23.624
flat angles P-C4'-P energy: -16.383
tors. eta vs tors. theta energy: -10.363
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: 2
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -159.767295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.767295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.767295 (E_RNA)
where:
Base-Base interactions energy: -43.515
where: short stacking energy: -29.939
Base-Backbone interact. energy: -0.645
local terms energy: -115.608075
where:
bonds (distance) C4'-P energy: -38.317
bonds (distance) P-C4' energy: -31.980
flat angles C4'-P-C4' energy: -25.836
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -3.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -165.726081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.726081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.726081 (E_RNA)
where:
Base-Base interactions energy: -72.072
where: short stacking energy: -48.530
Base-Backbone interact. energy: -0.596
local terms energy: -93.058597
where:
bonds (distance) C4'-P energy: -32.382
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -23.140
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -1.838
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: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -532.934226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.934226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.934226 (E_RNA)
where:
Base-Base interactions energy: -340.748
where: short stacking energy: -159.842
Base-Backbone interact. energy: -2.432
local terms energy: -189.754967
where:
bonds (distance) C4'-P energy: -31.528
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -40.679
flat angles P-C4'-P energy: -27.140
tors. eta vs tors. theta energy: -55.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -543.900262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.900262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.900262 (E_RNA)
where:
Base-Base interactions energy: -345.715
where: short stacking energy: -171.617
Base-Backbone interact. energy: -0.592
local terms energy: -197.593484
where:
bonds (distance) C4'-P energy: -35.451
bonds (distance) P-C4' energy: -38.044
flat angles C4'-P-C4' energy: -39.705
flat angles P-C4'-P energy: -28.785
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: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -498.677023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.677023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.677023 (E_RNA)
where:
Base-Base interactions energy: -338.157
where: short stacking energy: -140.816
Base-Backbone interact. energy: -0.510
local terms energy: -160.010510
where:
bonds (distance) C4'-P energy: -25.243
bonds (distance) P-C4' energy: -33.263
flat angles C4'-P-C4' energy: -38.372
flat angles P-C4'-P energy: -21.215
tors. eta vs tors. theta energy: -41.917
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: 8
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -441.006226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.006226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.006226 (E_RNA)
where:
Base-Base interactions energy: -298.094
where: short stacking energy: -109.100
Base-Backbone interact. energy: -1.633
local terms energy: -141.279472
where:
bonds (distance) C4'-P energy: -31.439
bonds (distance) P-C4' energy: -28.263
flat angles C4'-P-C4' energy: -30.605
flat angles P-C4'-P energy: -24.974
tors. eta vs tors. theta energy: -25.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -308.756404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.756404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.756404 (E_RNA)
where:
Base-Base interactions energy: -161.629
where: short stacking energy: -83.552
Base-Backbone interact. energy: -1.296
local terms energy: -145.831874
where:
bonds (distance) C4'-P energy: -35.311
bonds (distance) P-C4' energy: -40.493
flat angles C4'-P-C4' energy: -32.045
flat angles P-C4'-P energy: -21.505
tors. eta vs tors. theta energy: -16.477
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: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -205.321599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.321599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.321599 (E_RNA)
where:
Base-Base interactions energy: -81.477
where: short stacking energy: -58.043
Base-Backbone interact. energy: -1.557
local terms energy: -122.286882
where:
bonds (distance) C4'-P energy: -32.813
bonds (distance) P-C4' energy: -33.906
flat angles C4'-P-C4' energy: -31.870
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -209.170432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.170432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.170432 (E_RNA)
where:
Base-Base interactions energy: -79.052
where: short stacking energy: -49.131
Base-Backbone interact. energy: -0.513
local terms energy: -129.605396
where:
bonds (distance) C4'-P energy: -35.015
bonds (distance) P-C4' energy: -34.866
flat angles C4'-P-C4' energy: -33.478
flat angles P-C4'-P energy: -22.022
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -168.043454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.043454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.043454 (E_RNA)
where:
Base-Base interactions energy: -45.909
where: short stacking energy: -30.177
Base-Backbone interact. energy: -0.914
local terms energy: -121.220125
where:
bonds (distance) C4'-P energy: -35.409
bonds (distance) P-C4' energy: -32.602
flat angles C4'-P-C4' energy: -26.913
flat angles P-C4'-P energy: -30.287
tors. eta vs tors. theta energy: 3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -158.934789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.934789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.934789 (E_RNA)
where:
Base-Base interactions energy: -51.299
where: short stacking energy: -34.907
Base-Backbone interact. energy: 0.642
local terms energy: -108.277409
where:
bonds (distance) C4'-P energy: -32.163
bonds (distance) P-C4' energy: -30.410
flat angles C4'-P-C4' energy: -26.736
flat angles P-C4'-P energy: -20.325
tors. eta vs tors. theta energy: 1.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -137.439387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.439387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.439387 (E_RNA)
where:
Base-Base interactions energy: -41.369
where: short stacking energy: -30.845
Base-Backbone interact. energy: -3.469
local terms energy: -92.601415
where:
bonds (distance) C4'-P energy: -28.454
bonds (distance) P-C4' energy: -36.411
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: 7.169
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: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -529.588095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.588095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.588095 (E_RNA)
where:
Base-Base interactions energy: -340.563
where: short stacking energy: -172.101
Base-Backbone interact. energy: -0.404
local terms energy: -188.621065
where:
bonds (distance) C4'-P energy: -34.513
bonds (distance) P-C4' energy: -38.161
flat angles C4'-P-C4' energy: -36.990
flat angles P-C4'-P energy: -26.132
tors. eta vs tors. theta energy: -52.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -550.279064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.279064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.279064 (E_RNA)
where:
Base-Base interactions energy: -357.903
where: short stacking energy: -172.160
Base-Backbone interact. energy: -1.403
local terms energy: -190.973491
where:
bonds (distance) C4'-P energy: -37.826
bonds (distance) P-C4' energy: -31.941
flat angles C4'-P-C4' energy: -42.254
flat angles P-C4'-P energy: -24.808
tors. eta vs tors. theta energy: -54.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -504.497989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.497989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.497989 (E_RNA)
where:
Base-Base interactions energy: -332.769
where: short stacking energy: -137.516
Base-Backbone interact. energy: -1.573
local terms energy: -170.155968
where:
bonds (distance) C4'-P energy: -32.289
bonds (distance) P-C4' energy: -32.646
flat angles C4'-P-C4' energy: -37.063
flat angles P-C4'-P energy: -24.294
tors. eta vs tors. theta energy: -43.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -427.491664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.491664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.491664 (E_RNA)
where:
Base-Base interactions energy: -267.469
where: short stacking energy: -119.131
Base-Backbone interact. energy: -0.248
local terms energy: -159.774502
where:
bonds (distance) C4'-P energy: -39.058
bonds (distance) P-C4' energy: -38.171
flat angles C4'-P-C4' energy: -33.944
flat angles P-C4'-P energy: -18.984
tors. eta vs tors. theta energy: -29.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -337.529396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.529396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.529396 (E_RNA)
where:
Base-Base interactions energy: -206.257
where: short stacking energy: -88.149
Base-Backbone interact. energy: -2.180
local terms energy: -129.093000
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -32.135
flat angles C4'-P-C4' energy: -26.341
flat angles P-C4'-P energy: -19.917
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -201.524228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.524228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.524228 (E_RNA)
where:
Base-Base interactions energy: -69.728
where: short stacking energy: -59.353
Base-Backbone interact. energy: 2.758
local terms energy: -134.554707
where:
bonds (distance) C4'-P energy: -35.577
bonds (distance) P-C4' energy: -36.699
flat angles C4'-P-C4' energy: -32.826
flat angles P-C4'-P energy: -22.914
tors. eta vs tors. theta energy: -6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -179.282540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.282540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.282540 (E_RNA)
where:
Base-Base interactions energy: -62.212
where: short stacking energy: -56.145
Base-Backbone interact. energy: -0.552
local terms energy: -116.518431
where:
bonds (distance) C4'-P energy: -31.435
bonds (distance) P-C4' energy: -32.065
flat angles C4'-P-C4' energy: -33.352
flat angles P-C4'-P energy: -19.404
tors. eta vs tors. theta energy: -0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -165.774652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.774652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.774652 (E_RNA)
where:
Base-Base interactions energy: -50.392
where: short stacking energy: -44.385
Base-Backbone interact. energy: 0.157
local terms energy: -115.539988
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -34.756
flat angles C4'-P-C4' energy: -32.762
flat angles P-C4'-P energy: -21.662
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -148.542715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.542715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.542715 (E_RNA)
where:
Base-Base interactions energy: -43.103
where: short stacking energy: -28.620
Base-Backbone interact. energy: -0.259
local terms energy: -105.181359
where:
bonds (distance) C4'-P energy: -28.836
bonds (distance) P-C4' energy: -33.314
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: 0.382
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: 304
Temperature: 1.350000
Total energy: -141.594227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.594227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.594227 (E_RNA)
where:
Base-Base interactions energy: -48.549
where: short stacking energy: -37.138
Base-Backbone interact. energy: -1.802
local terms energy: -91.242917
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -32.302
flat angles C4'-P-C4' energy: -24.236
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: 2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -528.400009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.400009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.400009 (E_RNA)
where:
Base-Base interactions energy: -338.482
where: short stacking energy: -162.682
Base-Backbone interact. energy: -0.150
local terms energy: -189.768410
where:
bonds (distance) C4'-P energy: -33.586
bonds (distance) P-C4' energy: -33.966
flat angles C4'-P-C4' energy: -41.137
flat angles P-C4'-P energy: -27.186
tors. eta vs tors. theta energy: -53.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -500.108484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.108484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.108484 (E_RNA)
where:
Base-Base interactions energy: -342.567
where: short stacking energy: -134.674
Base-Backbone interact. energy: -0.372
local terms energy: -157.169733
where:
bonds (distance) C4'-P energy: -33.663
bonds (distance) P-C4' energy: -32.643
flat angles C4'-P-C4' energy: -30.674
flat angles P-C4'-P energy: -22.406
tors. eta vs tors. theta energy: -37.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -520.133630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.133630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.133630 (E_RNA)
where:
Base-Base interactions energy: -331.133
where: short stacking energy: -162.272
Base-Backbone interact. energy: -0.116
local terms energy: -188.884606
where:
bonds (distance) C4'-P energy: -37.522
bonds (distance) P-C4' energy: -31.978
flat angles C4'-P-C4' energy: -35.913
flat angles P-C4'-P energy: -24.354
tors. eta vs tors. theta energy: -59.118
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: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -393.808363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.808363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.808363 (E_RNA)
where:
Base-Base interactions energy: -233.051
where: short stacking energy: -90.662
Base-Backbone interact. energy: -0.839
local terms energy: -159.918533
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -37.726
flat angles C4'-P-C4' energy: -41.379
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -24.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -310.634289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.634289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.634289 (E_RNA)
where:
Base-Base interactions energy: -190.279
where: short stacking energy: -85.381
Base-Backbone interact. energy: -2.283
local terms energy: -118.072413
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -37.281
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -198.847479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.847479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.847479 (E_RNA)
where:
Base-Base interactions energy: -75.045
where: short stacking energy: -65.320
Base-Backbone interact. energy: -2.537
local terms energy: -121.265016
where:
bonds (distance) C4'-P energy: -38.572
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -36.373
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -14.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -190.897463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.897463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.897463 (E_RNA)
where:
Base-Base interactions energy: -70.812
where: short stacking energy: -70.812
Base-Backbone interact. energy: -0.741
local terms energy: -119.344738
where:
bonds (distance) C4'-P energy: -31.581
bonds (distance) P-C4' energy: -34.747
flat angles C4'-P-C4' energy: -27.944
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -179.445608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.445608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.445608 (E_RNA)
where:
Base-Base interactions energy: -66.764
where: short stacking energy: -44.608
Base-Backbone interact. energy: -0.829
local terms energy: -111.852848
where:
bonds (distance) C4'-P energy: -26.912
bonds (distance) P-C4' energy: -40.247
flat angles C4'-P-C4' energy: -29.187
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: 2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -223.909736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.909736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.909736 (E_RNA)
where:
Base-Base interactions energy: -105.396
where: short stacking energy: -49.088
Base-Backbone interact. energy: -0.348
local terms energy: -118.165983
where:
bonds (distance) C4'-P energy: -27.198
bonds (distance) P-C4' energy: -37.947
flat angles C4'-P-C4' energy: -28.648
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -150.364187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.364187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.364187 (E_RNA)
where:
Base-Base interactions energy: -45.819
where: short stacking energy: -45.819
Base-Backbone interact. energy: 0.357
local terms energy: -104.901513
where:
bonds (distance) C4'-P energy: -38.339
bonds (distance) P-C4' energy: -28.654
flat angles C4'-P-C4' energy: -28.405
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -521.137238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.137238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.137238 (E_RNA)
where:
Base-Base interactions energy: -356.354
where: short stacking energy: -146.343
Base-Backbone interact. energy: -0.341
local terms energy: -164.442588
where:
bonds (distance) C4'-P energy: -38.611
bonds (distance) P-C4' energy: -39.478
flat angles C4'-P-C4' energy: -29.527
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -34.146
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: 2, replica: 6
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -512.784159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.784159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.784159 (E_RNA)
where:
Base-Base interactions energy: -339.106
where: short stacking energy: -149.571
Base-Backbone interact. energy: 1.258
local terms energy: -174.936213
where:
bonds (distance) C4'-P energy: -34.167
bonds (distance) P-C4' energy: -34.622
flat angles C4'-P-C4' energy: -36.615
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -48.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -512.959093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.959093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.959093 (E_RNA)
where:
Base-Base interactions energy: -334.905
where: short stacking energy: -160.452
Base-Backbone interact. energy: -0.203
local terms energy: -177.851105
where:
bonds (distance) C4'-P energy: -29.694
bonds (distance) P-C4' energy: -30.668
flat angles C4'-P-C4' energy: -37.759
flat angles P-C4'-P energy: -26.381
tors. eta vs tors. theta energy: -53.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -402.706428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.706428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.706428 (E_RNA)
where:
Base-Base interactions energy: -252.273
where: short stacking energy: -92.153
Base-Backbone interact. energy: -1.264
local terms energy: -149.169305
where:
bonds (distance) C4'-P energy: -38.549
bonds (distance) P-C4' energy: -30.031
flat angles C4'-P-C4' energy: -34.635
flat angles P-C4'-P energy: -22.310
tors. eta vs tors. theta energy: -23.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -327.034452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.034452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.034452 (E_RNA)
where:
Base-Base interactions energy: -193.469
where: short stacking energy: -87.425
Base-Backbone interact. energy: 2.183
local terms energy: -135.747923
where:
bonds (distance) C4'-P energy: -28.266
bonds (distance) P-C4' energy: -37.011
flat angles C4'-P-C4' energy: -31.996
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -19.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -271.900583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.900583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.900583 (E_RNA)
where:
Base-Base interactions energy: -158.532
where: short stacking energy: -76.369
Base-Backbone interact. energy: -0.589
local terms energy: -112.780345
where:
bonds (distance) C4'-P energy: -31.817
bonds (distance) P-C4' energy: -28.669
flat angles C4'-P-C4' energy: -24.171
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -16.449
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: 306
Temperature: 1.200000
Total energy: -179.904433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.904433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.904433 (E_RNA)
where:
Base-Base interactions energy: -58.746
where: short stacking energy: -54.282
Base-Backbone interact. energy: 0.837
local terms energy: -121.996097
where:
bonds (distance) C4'-P energy: -27.635
bonds (distance) P-C4' energy: -32.787
flat angles C4'-P-C4' energy: -30.908
flat angles P-C4'-P energy: -25.324
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: 8, replica: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -156.158883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.158883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.158883 (E_RNA)
where:
Base-Base interactions energy: -58.093
where: short stacking energy: -42.989
Base-Backbone interact. energy: -0.193
local terms energy: -97.873009
where:
bonds (distance) C4'-P energy: -29.239
bonds (distance) P-C4' energy: -34.875
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: 1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -227.077617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.077617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.077617 (E_RNA)
where:
Base-Base interactions energy: -119.649
where: short stacking energy: -58.263
Base-Backbone interact. energy: -0.395
local terms energy: -107.033048
where:
bonds (distance) C4'-P energy: -31.789
bonds (distance) P-C4' energy: -31.720
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -8.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -138.741597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.741597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.741597 (E_RNA)
where:
Base-Base interactions energy: -46.581
where: short stacking energy: -32.207
Base-Backbone interact. energy: 0.054
local terms energy: -92.214861
where:
bonds (distance) C4'-P energy: -28.448
bonds (distance) P-C4' energy: -31.705
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: 5.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -503.512479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.512479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.512479 (E_RNA)
where:
Base-Base interactions energy: -348.958
where: short stacking energy: -147.800
Base-Backbone interact. energy: -2.255
local terms energy: -152.299024
where:
bonds (distance) C4'-P energy: -27.231
bonds (distance) P-C4' energy: -35.077
flat angles C4'-P-C4' energy: -34.883
flat angles P-C4'-P energy: -22.878
tors. eta vs tors. theta energy: -32.230
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: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -525.268398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.268398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.268398 (E_RNA)
where:
Base-Base interactions energy: -342.003
where: short stacking energy: -166.707
Base-Backbone interact. energy: -0.631
local terms energy: -182.634403
where:
bonds (distance) C4'-P energy: -33.559
bonds (distance) P-C4' energy: -37.694
flat angles C4'-P-C4' energy: -38.192
flat angles P-C4'-P energy: -21.916
tors. eta vs tors. theta energy: -51.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -511.476237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.476237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.476237 (E_RNA)
where:
Base-Base interactions energy: -334.600
where: short stacking energy: -158.759
Base-Backbone interact. energy: -1.257
local terms energy: -175.618869
where:
bonds (distance) C4'-P energy: -33.028
bonds (distance) P-C4' energy: -35.698
flat angles C4'-P-C4' energy: -34.259
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -49.933
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: 4, replica: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -440.654613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.654613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.654613 (E_RNA)
where:
Base-Base interactions energy: -283.228
where: short stacking energy: -118.512
Base-Backbone interact. energy: -0.629
local terms energy: -156.797306
where:
bonds (distance) C4'-P energy: -35.037
bonds (distance) P-C4' energy: -31.158
flat angles C4'-P-C4' energy: -35.124
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -34.530
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: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -329.963858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.963858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.963858 (E_RNA)
where:
Base-Base interactions energy: -179.359
where: short stacking energy: -96.494
Base-Backbone interact. energy: 0.496
local terms energy: -151.101507
where:
bonds (distance) C4'-P energy: -31.036
bonds (distance) P-C4' energy: -36.045
flat angles C4'-P-C4' energy: -37.667
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -31.454
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: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -332.809279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.809279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.809279 (E_RNA)
where:
Base-Base interactions energy: -205.207
where: short stacking energy: -97.292
Base-Backbone interact. energy: -1.016
local terms energy: -126.586319
where:
bonds (distance) C4'-P energy: -25.407
bonds (distance) P-C4' energy: -35.256
flat angles C4'-P-C4' energy: -30.462
flat angles P-C4'-P energy: -20.920
tors. eta vs tors. theta energy: -14.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -189.795985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.795985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.795985 (E_RNA)
where:
Base-Base interactions energy: -74.367
where: short stacking energy: -34.220
Base-Backbone interact. energy: 0.233
local terms energy: -115.661480
where:
bonds (distance) C4'-P energy: -37.026
bonds (distance) P-C4' energy: -35.715
flat angles C4'-P-C4' energy: -21.830
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -321.756467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.756467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.756467 (E_RNA)
where:
Base-Base interactions energy: -195.282
where: short stacking energy: -86.989
Base-Backbone interact. energy: -0.657
local terms energy: -125.817150
where:
bonds (distance) C4'-P energy: -24.482
bonds (distance) P-C4' energy: -32.852
flat angles C4'-P-C4' energy: -30.982
flat angles P-C4'-P energy: -21.179
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -152.583354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.583354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.583354 (E_RNA)
where:
Base-Base interactions energy: -67.913
where: short stacking energy: -43.403
Base-Backbone interact. energy: -0.559
local terms energy: -84.111566
where:
bonds (distance) C4'-P energy: -33.061
bonds (distance) P-C4' energy: -27.519
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: 8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -152.898519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.898519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.898519 (E_RNA)
where:
Base-Base interactions energy: -57.972
where: short stacking energy: -40.476
Base-Backbone interact. energy: -0.468
local terms energy: -94.457813
where:
bonds (distance) C4'-P energy: -32.447
bonds (distance) P-C4' energy: -19.524
flat angles C4'-P-C4' energy: -31.815
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -543.168545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.168545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.168545 (E_RNA)
where:
Base-Base interactions energy: -343.010
where: short stacking energy: -172.936
Base-Backbone interact. energy: -0.010
local terms energy: -200.148802
where:
bonds (distance) C4'-P energy: -38.997
bonds (distance) P-C4' energy: -33.250
flat angles C4'-P-C4' energy: -42.358
flat angles P-C4'-P energy: -28.702
tors. eta vs tors. theta energy: -56.843
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: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -512.371291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.371291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.371291 (E_RNA)
where:
Base-Base interactions energy: -336.149
where: short stacking energy: -137.876
Base-Backbone interact. energy: -0.946
local terms energy: -175.275927
where:
bonds (distance) C4'-P energy: -30.909
bonds (distance) P-C4' energy: -34.573
flat angles C4'-P-C4' energy: -42.032
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -46.630
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: 6
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -491.816766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.816766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.816766 (E_RNA)
where:
Base-Base interactions energy: -330.769
where: short stacking energy: -171.654
Base-Backbone interact. energy: 0.840
local terms energy: -161.888421
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -33.819
flat angles C4'-P-C4' energy: -31.141
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -50.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -411.537752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.537752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.537752 (E_RNA)
where:
Base-Base interactions energy: -270.430
where: short stacking energy: -102.808
Base-Backbone interact. energy: 0.339
local terms energy: -141.446845
where:
bonds (distance) C4'-P energy: -23.777
bonds (distance) P-C4' energy: -36.199
flat angles C4'-P-C4' energy: -30.385
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -32.729
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: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -311.695516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.695516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.695516 (E_RNA)
where:
Base-Base interactions energy: -170.628
where: short stacking energy: -86.959
Base-Backbone interact. energy: -0.391
local terms energy: -140.676618
where:
bonds (distance) C4'-P energy: -26.875
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -36.034
flat angles P-C4'-P energy: -24.891
tors. eta vs tors. theta energy: -20.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -308.642013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.642013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.642013 (E_RNA)
where:
Base-Base interactions energy: -188.734
where: short stacking energy: -84.854
Base-Backbone interact. energy: 1.456
local terms energy: -121.363833
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -29.357
flat angles C4'-P-C4' energy: -29.598
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -324.702280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.702280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.702280 (E_RNA)
where:
Base-Base interactions energy: -176.263
where: short stacking energy: -89.160
Base-Backbone interact. energy: -0.583
local terms energy: -147.855983
where:
bonds (distance) C4'-P energy: -30.693
bonds (distance) P-C4' energy: -37.155
flat angles C4'-P-C4' energy: -34.497
flat angles P-C4'-P energy: -24.722
tors. eta vs tors. theta energy: -20.789
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: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -175.496841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.496841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.496841 (E_RNA)
where:
Base-Base interactions energy: -72.241
where: short stacking energy: -55.005
Base-Backbone interact. energy: -0.026
local terms energy: -103.229650
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -39.525
flat angles C4'-P-C4' energy: -32.252
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -0.739
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: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -172.727202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.727202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.727202 (E_RNA)
where:
Base-Base interactions energy: -72.133
where: short stacking energy: -38.031
Base-Backbone interact. energy: 1.812
local terms energy: -102.406453
where:
bonds (distance) C4'-P energy: -28.161
bonds (distance) P-C4' energy: -31.925
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -20.368
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -160.112247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.112247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.112247 (E_RNA)
where:
Base-Base interactions energy: -62.897
where: short stacking energy: -45.426
Base-Backbone interact. energy: -0.703
local terms energy: -96.512256
where:
bonds (distance) C4'-P energy: -33.425
bonds (distance) P-C4' energy: -30.346
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: 0.067
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: 309
Temperature: 0.900000
Total energy: -555.353581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.353581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.353581 (E_RNA)
where:
Base-Base interactions energy: -370.492
where: short stacking energy: -169.813
Base-Backbone interact. energy: -0.014
local terms energy: -184.846881
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -34.479
flat angles C4'-P-C4' energy: -33.112
flat angles P-C4'-P energy: -26.533
tors. eta vs tors. theta energy: -58.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -529.966439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.966439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.966439 (E_RNA)
where:
Base-Base interactions energy: -350.620
where: short stacking energy: -155.025
Base-Backbone interact. energy: 0.598
local terms energy: -179.943821
where:
bonds (distance) C4'-P energy: -37.620
bonds (distance) P-C4' energy: -33.673
flat angles C4'-P-C4' energy: -34.906
flat angles P-C4'-P energy: -29.196
tors. eta vs tors. theta energy: -44.548
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: 3, replica: 6
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -462.612360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.612360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.612360 (E_RNA)
where:
Base-Base interactions energy: -292.467
where: short stacking energy: -132.678
Base-Backbone interact. energy: 0.412
local terms energy: -170.557386
where:
bonds (distance) C4'-P energy: -33.365
bonds (distance) P-C4' energy: -40.749
flat angles C4'-P-C4' energy: -35.031
flat angles P-C4'-P energy: -20.050
tors. eta vs tors. theta energy: -41.361
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: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -431.166704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.166704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.166704 (E_RNA)
where:
Base-Base interactions energy: -275.443
where: short stacking energy: -115.969
Base-Backbone interact. energy: -0.056
local terms energy: -155.667746
where:
bonds (distance) C4'-P energy: -35.816
bonds (distance) P-C4' energy: -34.446
flat angles C4'-P-C4' energy: -31.084
flat angles P-C4'-P energy: -25.682
tors. eta vs tors. theta energy: -28.639
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: 309
Temperature: 1.100000
Total energy: -313.128661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.128661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.128661 (E_RNA)
where:
Base-Base interactions energy: -171.535
where: short stacking energy: -90.311
Base-Backbone interact. energy: 1.973
local terms energy: -143.566692
where:
bonds (distance) C4'-P energy: -35.168
bonds (distance) P-C4' energy: -32.166
flat angles C4'-P-C4' energy: -33.973
flat angles P-C4'-P energy: -24.009
tors. eta vs tors. theta energy: -18.251
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: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -339.246096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.246096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.246096 (E_RNA)
where:
Base-Base interactions energy: -213.373
where: short stacking energy: -98.691
Base-Backbone interact. energy: -0.049
local terms energy: -125.824820
where:
bonds (distance) C4'-P energy: -24.482
bonds (distance) P-C4' energy: -34.751
flat angles C4'-P-C4' energy: -30.597
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -21.459
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: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -253.928663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.928663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.928663 (E_RNA)
where:
Base-Base interactions energy: -143.450
where: short stacking energy: -67.251
Base-Backbone interact. energy: -0.502
local terms energy: -109.976910
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -36.502
flat angles P-C4'-P energy: -21.914
tors. eta vs tors. theta energy: -1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -167.354368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.354368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.354368 (E_RNA)
where:
Base-Base interactions energy: -64.957
where: short stacking energy: -47.851
Base-Backbone interact. energy: -0.343
local terms energy: -102.054922
where:
bonds (distance) C4'-P energy: -24.892
bonds (distance) P-C4' energy: -35.845
flat angles C4'-P-C4' energy: -23.477
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -159.793570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.793570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.793570 (E_RNA)
where:
Base-Base interactions energy: -54.240
where: short stacking energy: -27.936
Base-Backbone interact. energy: -0.631
local terms energy: -104.923154
where:
bonds (distance) C4'-P energy: -32.533
bonds (distance) P-C4' energy: -35.069
flat angles C4'-P-C4' energy: -25.004
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -148.947577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.947577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.947577 (E_RNA)
where:
Base-Base interactions energy: -49.637
where: short stacking energy: -33.326
Base-Backbone interact. energy: -1.749
local terms energy: -97.561422
where:
bonds (distance) C4'-P energy: -27.267
bonds (distance) P-C4' energy: -30.232
flat angles C4'-P-C4' energy: -25.040
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: 7.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -566.627935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.627935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.627935 (E_RNA)
where:
Base-Base interactions energy: -360.805
where: short stacking energy: -172.968
Base-Backbone interact. energy: 0.237
local terms energy: -206.059008
where:
bonds (distance) C4'-P energy: -40.359
bonds (distance) P-C4' energy: -38.868
flat angles C4'-P-C4' energy: -42.396
flat angles P-C4'-P energy: -26.235
tors. eta vs tors. theta energy: -58.201
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: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -517.927714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.927714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.927714 (E_RNA)
where:
Base-Base interactions energy: -337.242
where: short stacking energy: -141.860
Base-Backbone interact. energy: -0.522
local terms energy: -180.162892
where:
bonds (distance) C4'-P energy: -36.910
bonds (distance) P-C4' energy: -40.465
flat angles C4'-P-C4' energy: -36.119
flat angles P-C4'-P energy: -25.822
tors. eta vs tors. theta energy: -40.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -495.812754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.812754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.812754 (E_RNA)
where:
Base-Base interactions energy: -317.505
where: short stacking energy: -148.346
Base-Backbone interact. energy: 0.110
local terms energy: -178.417850
where:
bonds (distance) C4'-P energy: -33.291
bonds (distance) P-C4' energy: -35.800
flat angles C4'-P-C4' energy: -37.220
flat angles P-C4'-P energy: -24.182
tors. eta vs tors. theta energy: -47.925
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: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -419.736013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.736013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.736013 (E_RNA)
where:
Base-Base interactions energy: -260.965
where: short stacking energy: -120.747
Base-Backbone interact. energy: -1.697
local terms energy: -157.073957
where:
bonds (distance) C4'-P energy: -32.771
bonds (distance) P-C4' energy: -29.426
flat angles C4'-P-C4' energy: -36.613
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: -33.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -306.408210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.408210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.408210 (E_RNA)
where:
Base-Base interactions energy: -178.120
where: short stacking energy: -96.681
Base-Backbone interact. energy: -0.815
local terms energy: -127.472916
where:
bonds (distance) C4'-P energy: -29.691
bonds (distance) P-C4' energy: -29.282
flat angles C4'-P-C4' energy: -32.390
flat angles P-C4'-P energy: -19.688
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -357.309938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.309938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.309938 (E_RNA)
where:
Base-Base interactions energy: -217.226
where: short stacking energy: -107.346
Base-Backbone interact. energy: -0.266
local terms energy: -139.817979
where:
bonds (distance) C4'-P energy: -29.854
bonds (distance) P-C4' energy: -29.631
flat angles C4'-P-C4' energy: -35.334
flat angles P-C4'-P energy: -20.227
tors. eta vs tors. theta energy: -24.770
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: 7, replica: 2
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -261.768085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.768085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.768085 (E_RNA)
where:
Base-Base interactions energy: -124.267
where: short stacking energy: -70.958
Base-Backbone interact. energy: -1.314
local terms energy: -136.187206
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -37.302
flat angles C4'-P-C4' energy: -32.564
flat angles P-C4'-P energy: -24.056
tors. eta vs tors. theta energy: -16.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -177.126044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.126044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.126044 (E_RNA)
where:
Base-Base interactions energy: -60.193
where: short stacking energy: -60.393
Base-Backbone interact. energy: -0.538
local terms energy: -116.394504
where:
bonds (distance) C4'-P energy: -35.224
bonds (distance) P-C4' energy: -24.944
flat angles C4'-P-C4' energy: -27.792
flat angles P-C4'-P energy: -18.950
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: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -160.556370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.556370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.556370 (E_RNA)
where:
Base-Base interactions energy: -50.315
where: short stacking energy: -41.691
Base-Backbone interact. energy: 2.177
local terms energy: -112.418355
where:
bonds (distance) C4'-P energy: -34.226
bonds (distance) P-C4' energy: -30.375
flat angles C4'-P-C4' energy: -21.089
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -10.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -149.319584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.319584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.319584 (E_RNA)
where:
Base-Base interactions energy: -47.700
where: short stacking energy: -37.281
Base-Backbone interact. energy: -2.351
local terms energy: -99.268929
where:
bonds (distance) C4'-P energy: -29.469
bonds (distance) P-C4' energy: -30.267
flat angles C4'-P-C4' energy: -26.109
flat angles P-C4'-P energy: -19.388
tors. eta vs tors. theta energy: 5.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -551.168840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.168840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.168840 (E_RNA)
where:
Base-Base interactions energy: -348.999
where: short stacking energy: -169.849
Base-Backbone interact. energy: -0.052
local terms energy: -202.118145
where:
bonds (distance) C4'-P energy: -37.551
bonds (distance) P-C4' energy: -37.049
flat angles C4'-P-C4' energy: -41.969
flat angles P-C4'-P energy: -26.820
tors. eta vs tors. theta energy: -58.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -508.420094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.420094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.420094 (E_RNA)
where:
Base-Base interactions energy: -351.303
where: short stacking energy: -164.249
Base-Backbone interact. energy: -0.758
local terms energy: -156.359204
where:
bonds (distance) C4'-P energy: -25.017
bonds (distance) P-C4' energy: -19.649
flat angles C4'-P-C4' energy: -34.746
flat angles P-C4'-P energy: -25.141
tors. eta vs tors. theta energy: -51.806
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: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -506.890638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.890638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.890638 (E_RNA)
where:
Base-Base interactions energy: -351.552
where: short stacking energy: -148.361
Base-Backbone interact. energy: -0.678
local terms energy: -154.661452
where:
bonds (distance) C4'-P energy: -31.191
bonds (distance) P-C4' energy: -32.129
flat angles C4'-P-C4' energy: -30.310
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -37.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -440.116402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.116402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.116402 (E_RNA)
where:
Base-Base interactions energy: -281.772
where: short stacking energy: -108.846
Base-Backbone interact. energy: -0.506
local terms energy: -157.838157
where:
bonds (distance) C4'-P energy: -33.283
bonds (distance) P-C4' energy: -33.774
flat angles C4'-P-C4' energy: -40.069
flat angles P-C4'-P energy: -22.325
tors. eta vs tors. theta energy: -28.386
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: 311
Temperature: 1.100000
Total energy: -310.809133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.809133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.809133 (E_RNA)
where:
Base-Base interactions energy: -185.934
where: short stacking energy: -97.906
Base-Backbone interact. energy: 0.824
local terms energy: -125.698622
where:
bonds (distance) C4'-P energy: -33.031
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -27.200
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -25.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -381.747527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.747527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.747527 (E_RNA)
where:
Base-Base interactions energy: -223.153
where: short stacking energy: -108.434
Base-Backbone interact. energy: 0.103
local terms energy: -158.697270
where:
bonds (distance) C4'-P energy: -35.709
bonds (distance) P-C4' energy: -32.704
flat angles C4'-P-C4' energy: -37.512
flat angles P-C4'-P energy: -22.745
tors. eta vs tors. theta energy: -30.028
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: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -283.217191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.217191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.217191 (E_RNA)
where:
Base-Base interactions energy: -162.751
where: short stacking energy: -81.420
Base-Backbone interact. energy: -1.230
local terms energy: -119.236120
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -29.661
flat angles C4'-P-C4' energy: -30.095
flat angles P-C4'-P energy: -25.450
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -156.256803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.256803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.256803 (E_RNA)
where:
Base-Base interactions energy: -47.986
where: short stacking energy: -45.216
Base-Backbone interact. energy: 0.081
local terms energy: -108.351656
where:
bonds (distance) C4'-P energy: -32.631
bonds (distance) P-C4' energy: -33.780
flat angles C4'-P-C4' energy: -27.611
flat angles P-C4'-P energy: -20.028
tors. eta vs tors. theta energy: 5.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -152.954073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.954073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.954073 (E_RNA)
where:
Base-Base interactions energy: -53.680
where: short stacking energy: -43.937
Base-Backbone interact. energy: 5.142
local terms energy: -104.415902
where:
bonds (distance) C4'-P energy: -32.158
bonds (distance) P-C4' energy: -31.653
flat angles C4'-P-C4' energy: -24.699
flat angles P-C4'-P energy: -16.863
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: 10, replica: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -154.554188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.554188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.554188 (E_RNA)
where:
Base-Base interactions energy: -52.878
where: short stacking energy: -39.057
Base-Backbone interact. energy: -0.469
local terms energy: -101.206672
where:
bonds (distance) C4'-P energy: -33.276
bonds (distance) P-C4' energy: -38.907
flat angles C4'-P-C4' energy: -30.992
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: 8.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -549.984965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.984965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.984965 (E_RNA)
where:
Base-Base interactions energy: -353.776
where: short stacking energy: -170.997
Base-Backbone interact. energy: -0.168
local terms energy: -196.041306
where:
bonds (distance) C4'-P energy: -36.219
bonds (distance) P-C4' energy: -39.347
flat angles C4'-P-C4' energy: -32.324
flat angles P-C4'-P energy: -31.835
tors. eta vs tors. theta energy: -56.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -523.400277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.400277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.400277 (E_RNA)
where:
Base-Base interactions energy: -338.803
where: short stacking energy: -161.260
Base-Backbone interact. energy: -0.746
local terms energy: -183.851058
where:
bonds (distance) C4'-P energy: -37.606
bonds (distance) P-C4' energy: -30.709
flat angles C4'-P-C4' energy: -35.850
flat angles P-C4'-P energy: -28.178
tors. eta vs tors. theta energy: -51.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -522.471120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.471120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.471120 (E_RNA)
where:
Base-Base interactions energy: -363.865
where: short stacking energy: -159.042
Base-Backbone interact. energy: 1.169
local terms energy: -159.775896
where:
bonds (distance) C4'-P energy: -27.633
bonds (distance) P-C4' energy: -35.455
flat angles C4'-P-C4' energy: -34.906
flat angles P-C4'-P energy: -24.922
tors. eta vs tors. theta energy: -36.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -437.313813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.313813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.313813 (E_RNA)
where:
Base-Base interactions energy: -291.281
where: short stacking energy: -118.482
Base-Backbone interact. energy: 0.553
local terms energy: -146.586384
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -33.823
flat angles P-C4'-P energy: -27.047
tors. eta vs tors. theta energy: -32.086
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: 5, replica: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -391.399397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.399397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.399397 (E_RNA)
where:
Base-Base interactions energy: -243.240
where: short stacking energy: -111.108
Base-Backbone interact. energy: -0.829
local terms energy: -147.330295
where:
bonds (distance) C4'-P energy: -34.813
bonds (distance) P-C4' energy: -32.977
flat angles C4'-P-C4' energy: -23.884
flat angles P-C4'-P energy: -24.990
tors. eta vs tors. theta energy: -30.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -315.507692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.507692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.507692 (E_RNA)
where:
Base-Base interactions energy: -176.210
where: short stacking energy: -85.135
Base-Backbone interact. energy: -1.216
local terms energy: -138.081669
where:
bonds (distance) C4'-P energy: -32.695
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -33.058
flat angles P-C4'-P energy: -19.577
tors. eta vs tors. theta energy: -25.643
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: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -288.917176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.917176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.917176 (E_RNA)
where:
Base-Base interactions energy: -153.714
where: short stacking energy: -77.691
Base-Backbone interact. energy: 0.995
local terms energy: -136.198947
where:
bonds (distance) C4'-P energy: -24.850
bonds (distance) P-C4' energy: -29.942
flat angles C4'-P-C4' energy: -34.637
flat angles P-C4'-P energy: -24.565
tors. eta vs tors. theta energy: -22.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -157.581980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.581980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.581980 (E_RNA)
where:
Base-Base interactions energy: -70.589
where: short stacking energy: -43.482
Base-Backbone interact. energy: -0.753
local terms energy: -86.239654
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -33.359
flat angles C4'-P-C4' energy: -26.035
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: 8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -162.468930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.468930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.468930 (E_RNA)
where:
Base-Base interactions energy: -72.711
where: short stacking energy: -38.872
Base-Backbone interact. energy: -0.189
local terms energy: -89.568880
where:
bonds (distance) C4'-P energy: -26.274
bonds (distance) P-C4' energy: -26.289
flat angles C4'-P-C4' energy: -29.649
flat angles P-C4'-P energy: -9.432
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: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -139.983458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.983458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.983458 (E_RNA)
where:
Base-Base interactions energy: -29.586
where: short stacking energy: -28.766
Base-Backbone interact. energy: -0.742
local terms energy: -109.655317
where:
bonds (distance) C4'-P energy: -31.213
bonds (distance) P-C4' energy: -33.308
flat angles C4'-P-C4' energy: -32.296
flat angles P-C4'-P energy: -19.154
tors. eta vs tors. theta energy: 6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -559.149947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.149947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.149947 (E_RNA)
where:
Base-Base interactions energy: -361.953
where: short stacking energy: -169.390
Base-Backbone interact. energy: -0.113
local terms energy: -197.083808
where:
bonds (distance) C4'-P energy: -33.825
bonds (distance) P-C4' energy: -37.899
flat angles C4'-P-C4' energy: -39.444
flat angles P-C4'-P energy: -29.156
tors. eta vs tors. theta energy: -56.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -519.562416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.562416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.562416 (E_RNA)
where:
Base-Base interactions energy: -349.751
where: short stacking energy: -158.846
Base-Backbone interact. energy: -0.592
local terms energy: -169.219417
where:
bonds (distance) C4'-P energy: -29.190
bonds (distance) P-C4' energy: -26.070
flat angles C4'-P-C4' energy: -36.764
flat angles P-C4'-P energy: -24.616
tors. eta vs tors. theta energy: -52.579
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: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -499.281248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.281248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.281248 (E_RNA)
where:
Base-Base interactions energy: -336.060
where: short stacking energy: -137.609
Base-Backbone interact. energy: -0.292
local terms energy: -162.929019
where:
bonds (distance) C4'-P energy: -33.311
bonds (distance) P-C4' energy: -29.996
flat angles C4'-P-C4' energy: -34.482
flat angles P-C4'-P energy: -23.965
tors. eta vs tors. theta energy: -41.175
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: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -436.731589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.731589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.731589 (E_RNA)
where:
Base-Base interactions energy: -280.986
where: short stacking energy: -125.230
Base-Backbone interact. energy: -0.664
local terms energy: -155.082160
where:
bonds (distance) C4'-P energy: -29.598
bonds (distance) P-C4' energy: -32.405
flat angles C4'-P-C4' energy: -30.191
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -38.222
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: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -380.356503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.356503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.356503 (E_RNA)
where:
Base-Base interactions energy: -251.571
where: short stacking energy: -106.694
Base-Backbone interact. energy: -0.156
local terms energy: -128.630153
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -25.334
flat angles C4'-P-C4' energy: -31.555
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -26.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -287.370268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.370268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.370268 (E_RNA)
where:
Base-Base interactions energy: -155.343
where: short stacking energy: -72.895
Base-Backbone interact. energy: -0.529
local terms energy: -131.497282
where:
bonds (distance) C4'-P energy: -32.074
bonds (distance) P-C4' energy: -35.501
flat angles C4'-P-C4' energy: -34.017
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -256.823294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.823294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.823294 (E_RNA)
where:
Base-Base interactions energy: -149.153
where: short stacking energy: -55.568
Base-Backbone interact. energy: -1.554
local terms energy: -106.115930
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -31.919
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -6.086
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: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -190.629561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.629561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.629561 (E_RNA)
where:
Base-Base interactions energy: -88.100
where: short stacking energy: -59.798
Base-Backbone interact. energy: -0.639
local terms energy: -101.890255
where:
bonds (distance) C4'-P energy: -28.831
bonds (distance) P-C4' energy: -26.477
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -12.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -184.268527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.268527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.268527 (E_RNA)
where:
Base-Base interactions energy: -75.448
where: short stacking energy: -36.321
Base-Backbone interact. energy: -1.253
local terms energy: -107.566960
where:
bonds (distance) C4'-P energy: -30.223
bonds (distance) P-C4' energy: -33.636
flat angles C4'-P-C4' energy: -25.925
flat angles P-C4'-P energy: -23.421
tors. eta vs tors. theta energy: 5.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -148.100055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.100055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.100055 (E_RNA)
where:
Base-Base interactions energy: -44.818
where: short stacking energy: -36.545
Base-Backbone interact. energy: -1.078
local terms energy: -102.204120
where:
bonds (distance) C4'-P energy: -32.281
bonds (distance) P-C4' energy: -33.386
flat angles C4'-P-C4' energy: -25.528
flat angles P-C4'-P energy: -21.657
tors. eta vs tors. theta energy: 10.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -540.277381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.277381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.277381 (E_RNA)
where:
Base-Base interactions energy: -356.439
where: short stacking energy: -156.594
Base-Backbone interact. energy: -0.936
local terms energy: -182.902143
where:
bonds (distance) C4'-P energy: -36.472
bonds (distance) P-C4' energy: -37.008
flat angles C4'-P-C4' energy: -34.973
flat angles P-C4'-P energy: -29.461
tors. eta vs tors. theta energy: -44.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -519.406485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.406485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.406485 (E_RNA)
where:
Base-Base interactions energy: -340.783
where: short stacking energy: -155.766
Base-Backbone interact. energy: 0.220
local terms energy: -178.842809
where:
bonds (distance) C4'-P energy: -33.223
bonds (distance) P-C4' energy: -34.931
flat angles C4'-P-C4' energy: -35.014
flat angles P-C4'-P energy: -29.424
tors. eta vs tors. theta energy: -46.250
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: 314
Temperature: 1.000000
Total energy: -481.701112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.701112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.701112 (E_RNA)
where:
Base-Base interactions energy: -324.010
where: short stacking energy: -135.509
Base-Backbone interact. energy: -0.364
local terms energy: -157.327065
where:
bonds (distance) C4'-P energy: -26.216
bonds (distance) P-C4' energy: -35.862
flat angles C4'-P-C4' energy: -32.726
flat angles P-C4'-P energy: -26.045
tors. eta vs tors. theta energy: -36.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -454.625753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.625753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.625753 (E_RNA)
where:
Base-Base interactions energy: -303.603
where: short stacking energy: -124.845
Base-Backbone interact. energy: -0.681
local terms energy: -150.341692
where:
bonds (distance) C4'-P energy: -35.469
bonds (distance) P-C4' energy: -33.263
flat angles C4'-P-C4' energy: -27.369
flat angles P-C4'-P energy: -21.418
tors. eta vs tors. theta energy: -32.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -385.119055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.119055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.119055 (E_RNA)
where:
Base-Base interactions energy: -213.963
where: short stacking energy: -106.885
Base-Backbone interact. energy: -1.567
local terms energy: -169.589003
where:
bonds (distance) C4'-P energy: -34.583
bonds (distance) P-C4' energy: -38.842
flat angles C4'-P-C4' energy: -38.753
flat angles P-C4'-P energy: -29.791
tors. eta vs tors. theta energy: -27.619
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: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -274.318859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.318859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.318859 (E_RNA)
where:
Base-Base interactions energy: -136.481
where: short stacking energy: -66.834
Base-Backbone interact. energy: -1.294
local terms energy: -136.543608
where:
bonds (distance) C4'-P energy: -34.074
bonds (distance) P-C4' energy: -29.294
flat angles C4'-P-C4' energy: -35.039
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -172.046194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.046194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.046194 (E_RNA)
where:
Base-Base interactions energy: -58.285
where: short stacking energy: -44.761
Base-Backbone interact. energy: -0.507
local terms energy: -113.254298
where:
bonds (distance) C4'-P energy: -31.772
bonds (distance) P-C4' energy: -33.656
flat angles C4'-P-C4' energy: -29.147
flat angles P-C4'-P energy: -21.613
tors. eta vs tors. theta energy: 2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -157.732709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.732709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.732709 (E_RNA)
where:
Base-Base interactions energy: -59.323
where: short stacking energy: -46.034
Base-Backbone interact. energy: 1.022
local terms energy: -99.431238
where:
bonds (distance) C4'-P energy: -27.963
bonds (distance) P-C4' energy: -29.474
flat angles C4'-P-C4' energy: -29.107
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: 1.214
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: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -151.539777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.539777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.539777 (E_RNA)
where:
Base-Base interactions energy: -64.312
where: short stacking energy: -36.159
Base-Backbone interact. energy: 2.864
local terms energy: -90.091787
where:
bonds (distance) C4'-P energy: -31.224
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -28.333
flat angles P-C4'-P energy: -15.461
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: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -182.796138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.796138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.796138 (E_RNA)
where:
Base-Base interactions energy: -62.739
where: short stacking energy: -38.364
Base-Backbone interact. energy: -0.996
local terms energy: -119.060892
where:
bonds (distance) C4'-P energy: -39.079
bonds (distance) P-C4' energy: -31.858
flat angles C4'-P-C4' energy: -30.327
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -551.673042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.673042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.673042 (E_RNA)
where:
Base-Base interactions energy: -349.519
where: short stacking energy: -171.057
Base-Backbone interact. energy: 0.713
local terms energy: -202.867195
where:
bonds (distance) C4'-P energy: -35.509
bonds (distance) P-C4' energy: -35.677
flat angles C4'-P-C4' energy: -40.765
flat angles P-C4'-P energy: -33.122
tors. eta vs tors. theta energy: -57.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -513.280524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.280524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.280524 (E_RNA)
where:
Base-Base interactions energy: -328.664
where: short stacking energy: -160.450
Base-Backbone interact. energy: -0.667
local terms energy: -183.948702
where:
bonds (distance) C4'-P energy: -37.015
bonds (distance) P-C4' energy: -30.136
flat angles C4'-P-C4' energy: -33.554
flat angles P-C4'-P energy: -27.480
tors. eta vs tors. theta energy: -55.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -497.161278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.161278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.161278 (E_RNA)
where:
Base-Base interactions energy: -338.849
where: short stacking energy: -140.374
Base-Backbone interact. energy: -0.738
local terms energy: -157.574240
where:
bonds (distance) C4'-P energy: -31.784
bonds (distance) P-C4' energy: -36.164
flat angles C4'-P-C4' energy: -21.812
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: -49.755
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: 8
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -467.720856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.720856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.720856 (E_RNA)
where:
Base-Base interactions energy: -309.504
where: short stacking energy: -132.552
Base-Backbone interact. energy: -0.764
local terms energy: -157.452876
where:
bonds (distance) C4'-P energy: -29.167
bonds (distance) P-C4' energy: -33.087
flat angles C4'-P-C4' energy: -34.399
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -41.438
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: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -416.910043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.910043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.910043 (E_RNA)
where:
Base-Base interactions energy: -254.467
where: short stacking energy: -123.036
Base-Backbone interact. energy: -1.678
local terms energy: -160.764537
where:
bonds (distance) C4'-P energy: -33.863
bonds (distance) P-C4' energy: -31.788
flat angles C4'-P-C4' energy: -33.150
flat angles P-C4'-P energy: -22.301
tors. eta vs tors. theta energy: -39.663
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: 315
Temperature: 1.150000
Total energy: -220.329488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.329488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.329488 (E_RNA)
where:
Base-Base interactions energy: -116.178
where: short stacking energy: -54.388
Base-Backbone interact. energy: -0.571
local terms energy: -103.580673
where:
bonds (distance) C4'-P energy: -26.597
bonds (distance) P-C4' energy: -34.297
flat angles C4'-P-C4' energy: -23.788
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -5.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -239.741683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.741683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.741683 (E_RNA)
where:
Base-Base interactions energy: -142.321
where: short stacking energy: -74.416
Base-Backbone interact. energy: 5.914
local terms energy: -103.334470
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -28.622
flat angles C4'-P-C4' energy: -25.161
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -7.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -185.856412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.856412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.856412 (E_RNA)
where:
Base-Base interactions energy: -72.474
where: short stacking energy: -45.889
Base-Backbone interact. energy: 2.594
local terms energy: -115.976917
where:
bonds (distance) C4'-P energy: -30.504
bonds (distance) P-C4' energy: -30.915
flat angles C4'-P-C4' energy: -29.098
flat angles P-C4'-P energy: -18.991
tors. eta vs tors. theta energy: -6.469
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: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -191.053006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.053006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.053006 (E_RNA)
where:
Base-Base interactions energy: -90.094
where: short stacking energy: -61.230
Base-Backbone interact. energy: 0.278
local terms energy: -101.236041
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -35.952
flat angles C4'-P-C4' energy: -28.038
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -13.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -166.229474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.229474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.229474 (E_RNA)
where:
Base-Base interactions energy: -66.772
where: short stacking energy: -45.825
Base-Backbone interact. energy: 3.091
local terms energy: -102.548330
where:
bonds (distance) C4'-P energy: -34.789
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -29.689
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: 3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -557.766914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.766914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.766914 (E_RNA)
where:
Base-Base interactions energy: -360.631
where: short stacking energy: -173.821
Base-Backbone interact. energy: -0.012
local terms energy: -197.123678
where:
bonds (distance) C4'-P energy: -35.819
bonds (distance) P-C4' energy: -29.561
flat angles C4'-P-C4' energy: -41.613
flat angles P-C4'-P energy: -30.142
tors. eta vs tors. theta energy: -59.989
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: 6
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -500.516179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.516179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.516179 (E_RNA)
where:
Base-Base interactions energy: -317.467
where: short stacking energy: -145.511
Base-Backbone interact. energy: -2.751
local terms energy: -180.298511
where:
bonds (distance) C4'-P energy: -34.848
bonds (distance) P-C4' energy: -34.060
flat angles C4'-P-C4' energy: -40.519
flat angles P-C4'-P energy: -24.142
tors. eta vs tors. theta energy: -46.729
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: 316
Temperature: 1.000000
Total energy: -514.790182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.790182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.790182 (E_RNA)
where:
Base-Base interactions energy: -356.586
where: short stacking energy: -158.882
Base-Backbone interact. energy: -1.025
local terms energy: -157.179422
where:
bonds (distance) C4'-P energy: -23.392
bonds (distance) P-C4' energy: -31.377
flat angles C4'-P-C4' energy: -34.239
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -49.221
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: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -466.331883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.331883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.331883 (E_RNA)
where:
Base-Base interactions energy: -310.430
where: short stacking energy: -137.250
Base-Backbone interact. energy: -0.810
local terms energy: -155.092557
where:
bonds (distance) C4'-P energy: -29.747
bonds (distance) P-C4' energy: -29.835
flat angles C4'-P-C4' energy: -31.288
flat angles P-C4'-P energy: -25.327
tors. eta vs tors. theta energy: -38.895
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: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -396.854389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.854389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.854389 (E_RNA)
where:
Base-Base interactions energy: -222.547
where: short stacking energy: -107.058
Base-Backbone interact. energy: -0.252
local terms energy: -174.055465
where:
bonds (distance) C4'-P energy: -30.772
bonds (distance) P-C4' energy: -38.857
flat angles C4'-P-C4' energy: -37.812
flat angles P-C4'-P energy: -24.202
tors. eta vs tors. theta energy: -42.412
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: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -211.839547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.839547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.839547 (E_RNA)
where:
Base-Base interactions energy: -82.243
where: short stacking energy: -52.128
Base-Backbone interact. energy: -0.359
local terms energy: -129.237126
where:
bonds (distance) C4'-P energy: -36.707
bonds (distance) P-C4' energy: -36.737
flat angles C4'-P-C4' energy: -31.849
flat angles P-C4'-P energy: -15.917
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: 7, replica: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -196.653658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.653658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.653658 (E_RNA)
where:
Base-Base interactions energy: -87.094
where: short stacking energy: -51.750
Base-Backbone interact. energy: -0.383
local terms energy: -109.177401
where:
bonds (distance) C4'-P energy: -31.595
bonds (distance) P-C4' energy: -28.760
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -9.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -233.370695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.370695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.370695 (E_RNA)
where:
Base-Base interactions energy: -112.603
where: short stacking energy: -60.568
Base-Backbone interact. energy: -0.516
local terms energy: -120.250869
where:
bonds (distance) C4'-P energy: -32.509
bonds (distance) P-C4' energy: -33.148
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -24.387
tors. eta vs tors. theta energy: -10.914
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: 316
Temperature: 1.300000
Total energy: -181.538783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.538783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.538783 (E_RNA)
where:
Base-Base interactions energy: -75.031
where: short stacking energy: -40.531
Base-Backbone interact. energy: -0.755
local terms energy: -105.752855
where:
bonds (distance) C4'-P energy: -22.879
bonds (distance) P-C4' energy: -33.276
flat angles C4'-P-C4' energy: -31.550
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -166.254606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.254606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.254606 (E_RNA)
where:
Base-Base interactions energy: -66.478
where: short stacking energy: -36.791
Base-Backbone interact. energy: -0.454
local terms energy: -99.322537
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -32.265
flat angles C4'-P-C4' energy: -28.273
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: 3.515
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: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -554.957480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.957480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.957480 (E_RNA)
where:
Base-Base interactions energy: -359.654
where: short stacking energy: -159.968
Base-Backbone interact. energy: -0.179
local terms energy: -195.124809
where:
bonds (distance) C4'-P energy: -33.898
bonds (distance) P-C4' energy: -36.057
flat angles C4'-P-C4' energy: -40.290
flat angles P-C4'-P energy: -27.604
tors. eta vs tors. theta energy: -57.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -545.299701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.299701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.299701 (E_RNA)
where:
Base-Base interactions energy: -369.547
where: short stacking energy: -150.852
Base-Backbone interact. energy: -1.023
local terms energy: -174.729140
where:
bonds (distance) C4'-P energy: -31.770
bonds (distance) P-C4' energy: -39.165
flat angles C4'-P-C4' energy: -32.351
flat angles P-C4'-P energy: -29.054
tors. eta vs tors. theta energy: -42.389
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: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -475.833780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.833780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.833780 (E_RNA)
where:
Base-Base interactions energy: -308.558
where: short stacking energy: -129.268
Base-Backbone interact. energy: -2.916
local terms energy: -164.359740
where:
bonds (distance) C4'-P energy: -36.844
bonds (distance) P-C4' energy: -37.631
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -25.275
tors. eta vs tors. theta energy: -33.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -467.473655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.473655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.473655 (E_RNA)
where:
Base-Base interactions energy: -317.077
where: short stacking energy: -140.069
Base-Backbone interact. energy: -0.620
local terms energy: -149.776261
where:
bonds (distance) C4'-P energy: -32.707
bonds (distance) P-C4' energy: -29.684
flat angles C4'-P-C4' energy: -34.292
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -38.991
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: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -440.399713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.399713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.399713 (E_RNA)
where:
Base-Base interactions energy: -273.291
where: short stacking energy: -133.748
Base-Backbone interact. energy: 0.046
local terms energy: -167.155206
where:
bonds (distance) C4'-P energy: -28.358
bonds (distance) P-C4' energy: -35.200
flat angles C4'-P-C4' energy: -37.107
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -44.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -191.659462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.659462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.659462 (E_RNA)
where:
Base-Base interactions energy: -72.941
where: short stacking energy: -53.313
Base-Backbone interact. energy: -0.425
local terms energy: -118.293476
where:
bonds (distance) C4'-P energy: -27.672
bonds (distance) P-C4' energy: -36.108
flat angles C4'-P-C4' energy: -29.288
flat angles P-C4'-P energy: -21.019
tors. eta vs tors. theta energy: -4.207
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: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -179.678765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.678765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.678765 (E_RNA)
where:
Base-Base interactions energy: -67.847
where: short stacking energy: -45.345
Base-Backbone interact. energy: -2.241
local terms energy: -109.590323
where:
bonds (distance) C4'-P energy: -30.314
bonds (distance) P-C4' energy: -36.211
flat angles C4'-P-C4' energy: -34.374
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: 5.444
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: 317
Temperature: 1.250000
Total energy: -199.081202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.081202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.081202 (E_RNA)
where:
Base-Base interactions energy: -86.390
where: short stacking energy: -53.401
Base-Backbone interact. energy: 0.053
local terms energy: -112.744300
where:
bonds (distance) C4'-P energy: -32.035
bonds (distance) P-C4' energy: -36.786
flat angles C4'-P-C4' energy: -25.717
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -166.405965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.405965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.405965 (E_RNA)
where:
Base-Base interactions energy: -49.781
where: short stacking energy: -42.918
Base-Backbone interact. energy: -0.533
local terms energy: -116.092053
where:
bonds (distance) C4'-P energy: -28.658
bonds (distance) P-C4' energy: -30.917
flat angles C4'-P-C4' energy: -32.804
flat angles P-C4'-P energy: -21.016
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -157.542857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.542857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.542857 (E_RNA)
where:
Base-Base interactions energy: -70.307
where: short stacking energy: -51.058
Base-Backbone interact. energy: 0.952
local terms energy: -88.188401
where:
bonds (distance) C4'-P energy: -30.185
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -2.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -539.706238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.706238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.706238 (E_RNA)
where:
Base-Base interactions energy: -345.828
where: short stacking energy: -169.450
Base-Backbone interact. energy: -0.356
local terms energy: -193.521689
where:
bonds (distance) C4'-P energy: -36.570
bonds (distance) P-C4' energy: -37.483
flat angles C4'-P-C4' energy: -38.797
flat angles P-C4'-P energy: -22.074
tors. eta vs tors. theta energy: -58.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -529.651126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.651126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.651126 (E_RNA)
where:
Base-Base interactions energy: -365.993
where: short stacking energy: -153.191
Base-Backbone interact. energy: -1.055
local terms energy: -162.603110
where:
bonds (distance) C4'-P energy: -33.313
bonds (distance) P-C4' energy: -29.984
flat angles C4'-P-C4' energy: -33.895
flat angles P-C4'-P energy: -21.612
tors. eta vs tors. theta energy: -43.799
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: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -494.011839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.011839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.011839 (E_RNA)
where:
Base-Base interactions energy: -325.861
where: short stacking energy: -147.087
Base-Backbone interact. energy: 0.828
local terms energy: -168.978616
where:
bonds (distance) C4'-P energy: -27.385
bonds (distance) P-C4' energy: -36.314
flat angles C4'-P-C4' energy: -35.028
flat angles P-C4'-P energy: -27.549
tors. eta vs tors. theta energy: -42.703
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: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -468.455462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.455462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.455462 (E_RNA)
where:
Base-Base interactions energy: -297.438
where: short stacking energy: -139.549
Base-Backbone interact. energy: -0.450
local terms energy: -170.567709
where:
bonds (distance) C4'-P energy: -37.895
bonds (distance) P-C4' energy: -24.819
flat angles C4'-P-C4' energy: -36.774
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: -47.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -410.183405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.183405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.183405 (E_RNA)
where:
Base-Base interactions energy: -243.308
where: short stacking energy: -117.270
Base-Backbone interact. energy: -1.645
local terms energy: -165.229767
where:
bonds (distance) C4'-P energy: -38.758
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -37.177
flat angles P-C4'-P energy: -24.073
tors. eta vs tors. theta energy: -35.854
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: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -232.298809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.298809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.298809 (E_RNA)
where:
Base-Base interactions energy: -123.712
where: short stacking energy: -77.120
Base-Backbone interact. energy: 1.940
local terms energy: -110.526833
where:
bonds (distance) C4'-P energy: -32.033
bonds (distance) P-C4' energy: -33.172
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -172.157879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.157879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.157879 (E_RNA)
where:
Base-Base interactions energy: -65.061
where: short stacking energy: -50.412
Base-Backbone interact. energy: -0.584
local terms energy: -106.512561
where:
bonds (distance) C4'-P energy: -28.190
bonds (distance) P-C4' energy: -33.705
flat angles C4'-P-C4' energy: -26.364
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -0.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -188.821313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.821313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.821313 (E_RNA)
where:
Base-Base interactions energy: -83.229
where: short stacking energy: -51.832
Base-Backbone interact. energy: -0.377
local terms energy: -105.214603
where:
bonds (distance) C4'-P energy: -27.309
bonds (distance) P-C4' energy: -26.539
flat angles C4'-P-C4' energy: -28.216
flat angles P-C4'-P energy: -24.140
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: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -167.748304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.748304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.748304 (E_RNA)
where:
Base-Base interactions energy: -54.057
where: short stacking energy: -42.986
Base-Backbone interact. energy: -0.040
local terms energy: -113.651009
where:
bonds (distance) C4'-P energy: -29.309
bonds (distance) P-C4' energy: -29.279
flat angles C4'-P-C4' energy: -30.338
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -9.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -152.387254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.387254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.387254 (E_RNA)
where:
Base-Base interactions energy: -56.044
where: short stacking energy: -37.097
Base-Backbone interact. energy: -0.789
local terms energy: -95.554488
where:
bonds (distance) C4'-P energy: -24.092
bonds (distance) P-C4' energy: -35.118
flat angles C4'-P-C4' energy: -34.248
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: 9.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -554.540975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.540975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.540975 (E_RNA)
where:
Base-Base interactions energy: -354.895
where: short stacking energy: -176.829
Base-Backbone interact. energy: -0.229
local terms energy: -199.416228
where:
bonds (distance) C4'-P energy: -33.959
bonds (distance) P-C4' energy: -36.839
flat angles C4'-P-C4' energy: -39.198
flat angles P-C4'-P energy: -30.161
tors. eta vs tors. theta energy: -59.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -508.742248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.742248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.742248 (E_RNA)
where:
Base-Base interactions energy: -347.581
where: short stacking energy: -147.641
Base-Backbone interact. energy: 2.695
local terms energy: -163.855974
where:
bonds (distance) C4'-P energy: -30.634
bonds (distance) P-C4' energy: -28.888
flat angles C4'-P-C4' energy: -39.393
flat angles P-C4'-P energy: -20.207
tors. eta vs tors. theta energy: -44.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -482.890837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.890837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.890837 (E_RNA)
where:
Base-Base interactions energy: -316.266
where: short stacking energy: -132.115
Base-Backbone interact. energy: -0.372
local terms energy: -166.252626
where:
bonds (distance) C4'-P energy: -31.728
bonds (distance) P-C4' energy: -40.031
flat angles C4'-P-C4' energy: -36.748
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -38.214
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: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -452.793566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.793566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.793566 (E_RNA)
where:
Base-Base interactions energy: -287.637
where: short stacking energy: -132.298
Base-Backbone interact. energy: -0.123
local terms energy: -165.033617
where:
bonds (distance) C4'-P energy: -32.795
bonds (distance) P-C4' energy: -40.252
flat angles C4'-P-C4' energy: -27.792
flat angles P-C4'-P energy: -22.522
tors. eta vs tors. theta energy: -41.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -454.177236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.177236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.177236 (E_RNA)
where:
Base-Base interactions energy: -286.583
where: short stacking energy: -140.632
Base-Backbone interact. energy: -0.274
local terms energy: -167.320508
where:
bonds (distance) C4'-P energy: -31.142
bonds (distance) P-C4' energy: -31.033
flat angles C4'-P-C4' energy: -30.746
flat angles P-C4'-P energy: -27.208
tors. eta vs tors. theta energy: -47.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -190.773110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.773110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.773110 (E_RNA)
where:
Base-Base interactions energy: -75.683
where: short stacking energy: -58.689
Base-Backbone interact. energy: -1.338
local terms energy: -113.752003
where:
bonds (distance) C4'-P energy: -31.834
bonds (distance) P-C4' energy: -34.713
flat angles C4'-P-C4' energy: -25.122
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -9.237
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: 7, replica: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -226.591531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.591531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.591531 (E_RNA)
where:
Base-Base interactions energy: -114.233
where: short stacking energy: -51.667
Base-Backbone interact. energy: -1.086
local terms energy: -111.272617
where:
bonds (distance) C4'-P energy: -28.815
bonds (distance) P-C4' energy: -32.855
flat angles C4'-P-C4' energy: -22.936
flat angles P-C4'-P energy: -21.501
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -180.533897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.533897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.533897 (E_RNA)
where:
Base-Base interactions energy: -86.162
where: short stacking energy: -75.193
Base-Backbone interact. energy: -0.377
local terms energy: -93.995195
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -25.624
flat angles P-C4'-P energy: -13.951
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -161.170447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.170447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.170447 (E_RNA)
where:
Base-Base interactions energy: -56.379
where: short stacking energy: -50.356
Base-Backbone interact. energy: -0.404
local terms energy: -104.387271
where:
bonds (distance) C4'-P energy: -26.990
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -27.254
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -8.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -138.937668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.937668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.937668 (E_RNA)
where:
Base-Base interactions energy: -43.902
where: short stacking energy: -32.821
Base-Backbone interact. energy: -0.556
local terms energy: -94.479551
where:
bonds (distance) C4'-P energy: -30.623
bonds (distance) P-C4' energy: -33.761
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -24.148
tors. eta vs tors. theta energy: 16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -541.742569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.742569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.742569 (E_RNA)
where:
Base-Base interactions energy: -354.811
where: short stacking energy: -179.589
Base-Backbone interact. energy: -0.354
local terms energy: -186.577779
where:
bonds (distance) C4'-P energy: -28.063
bonds (distance) P-C4' energy: -32.600
flat angles C4'-P-C4' energy: -41.126
flat angles P-C4'-P energy: -27.162
tors. eta vs tors. theta energy: -57.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -529.940711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.940711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.940711 (E_RNA)
where:
Base-Base interactions energy: -362.859
where: short stacking energy: -154.789
Base-Backbone interact. energy: -0.287
local terms energy: -166.793947
where:
bonds (distance) C4'-P energy: -36.164
bonds (distance) P-C4' energy: -28.243
flat angles C4'-P-C4' energy: -34.383
flat angles P-C4'-P energy: -22.981
tors. eta vs tors. theta energy: -45.024
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: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -472.897350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.897350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.897350 (E_RNA)
where:
Base-Base interactions energy: -318.435
where: short stacking energy: -136.575
Base-Backbone interact. energy: -0.658
local terms energy: -153.804238
where:
bonds (distance) C4'-P energy: -28.385
bonds (distance) P-C4' energy: -34.572
flat angles C4'-P-C4' energy: -33.816
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -40.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -449.741786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.741786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.741786 (E_RNA)
where:
Base-Base interactions energy: -282.324
where: short stacking energy: -133.571
Base-Backbone interact. energy: 0.061
local terms energy: -167.479269
where:
bonds (distance) C4'-P energy: -26.891
bonds (distance) P-C4' energy: -37.329
flat angles C4'-P-C4' energy: -35.095
flat angles P-C4'-P energy: -27.891
tors. eta vs tors. theta energy: -40.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -474.611018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.611018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.611018 (E_RNA)
where:
Base-Base interactions energy: -308.642
where: short stacking energy: -153.045
Base-Backbone interact. energy: 0.070
local terms energy: -166.039180
where:
bonds (distance) C4'-P energy: -32.551
bonds (distance) P-C4' energy: -30.841
flat angles C4'-P-C4' energy: -31.908
flat angles P-C4'-P energy: -22.709
tors. eta vs tors. theta energy: -48.030
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: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -193.845091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.845091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.845091 (E_RNA)
where:
Base-Base interactions energy: -51.030
where: short stacking energy: -39.403
Base-Backbone interact. energy: -0.329
local terms energy: -142.486012
where:
bonds (distance) C4'-P energy: -38.337
bonds (distance) P-C4' energy: -40.945
flat angles C4'-P-C4' energy: -37.637
flat angles P-C4'-P energy: -27.408
tors. eta vs tors. theta energy: 1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -232.115987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.115987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.115987 (E_RNA)
where:
Base-Base interactions energy: -132.685
where: short stacking energy: -65.826
Base-Backbone interact. energy: 0.238
local terms energy: -99.668733
where:
bonds (distance) C4'-P energy: -24.078
bonds (distance) P-C4' energy: -30.185
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -23.620
tors. eta vs tors. theta energy: -1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -180.422160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.422160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.422160 (E_RNA)
where:
Base-Base interactions energy: -72.755
where: short stacking energy: -58.456
Base-Backbone interact. energy: -0.313
local terms energy: -107.354308
where:
bonds (distance) C4'-P energy: -26.629
bonds (distance) P-C4' energy: -30.316
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -184.382855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.382855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.382855 (E_RNA)
where:
Base-Base interactions energy: -79.748
where: short stacking energy: -43.141
Base-Backbone interact. energy: -1.082
local terms energy: -103.552845
where:
bonds (distance) C4'-P energy: -33.854
bonds (distance) P-C4' energy: -41.128
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: 4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -145.186004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.186004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.186004 (E_RNA)
where:
Base-Base interactions energy: -53.250
where: short stacking energy: -44.106
Base-Backbone interact. energy: 1.844
local terms energy: -93.779232
where:
bonds (distance) C4'-P energy: -27.826
bonds (distance) P-C4' energy: -26.548
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -565.428500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.428500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.428500 (E_RNA)
where:
Base-Base interactions energy: -376.740
where: short stacking energy: -177.330
Base-Backbone interact. energy: -0.172
local terms energy: -188.515913
where:
bonds (distance) C4'-P energy: -34.584
bonds (distance) P-C4' energy: -37.513
flat angles C4'-P-C4' energy: -37.714
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -57.383
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: 2, replica: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -521.847709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.847709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.847709 (E_RNA)
where:
Base-Base interactions energy: -339.423
where: short stacking energy: -142.385
Base-Backbone interact. energy: 1.473
local terms energy: -183.897380
where:
bonds (distance) C4'-P energy: -36.315
bonds (distance) P-C4' energy: -35.532
flat angles C4'-P-C4' energy: -35.821
flat angles P-C4'-P energy: -31.115
tors. eta vs tors. theta energy: -45.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -473.257140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.257140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.257140 (E_RNA)
where:
Base-Base interactions energy: -314.567
where: short stacking energy: -134.648
Base-Backbone interact. energy: -0.580
local terms energy: -158.109992
where:
bonds (distance) C4'-P energy: -30.439
bonds (distance) P-C4' energy: -34.958
flat angles C4'-P-C4' energy: -31.732
flat angles P-C4'-P energy: -27.134
tors. eta vs tors. theta energy: -33.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -494.062731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.062731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.062731 (E_RNA)
where:
Base-Base interactions energy: -330.749
where: short stacking energy: -142.121
Base-Backbone interact. energy: 1.593
local terms energy: -164.906294
where:
bonds (distance) C4'-P energy: -29.562
bonds (distance) P-C4' energy: -31.922
flat angles C4'-P-C4' energy: -34.473
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -49.438
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: 7
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -460.876733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.876733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.876733 (E_RNA)
where:
Base-Base interactions energy: -285.684
where: short stacking energy: -141.885
Base-Backbone interact. energy: -0.038
local terms energy: -175.154766
where:
bonds (distance) C4'-P energy: -34.962
bonds (distance) P-C4' energy: -32.014
flat angles C4'-P-C4' energy: -38.956
flat angles P-C4'-P energy: -25.058
tors. eta vs tors. theta energy: -44.165
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: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -252.278734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.278734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.278734 (E_RNA)
where:
Base-Base interactions energy: -136.612
where: short stacking energy: -73.420
Base-Backbone interact. energy: 1.583
local terms energy: -117.250354
where:
bonds (distance) C4'-P energy: -32.360
bonds (distance) P-C4' energy: -23.904
flat angles C4'-P-C4' energy: -33.065
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -10.824
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: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -188.579893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.579893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.579893 (E_RNA)
where:
Base-Base interactions energy: -65.541
where: short stacking energy: -44.859
Base-Backbone interact. energy: -0.327
local terms energy: -122.711897
where:
bonds (distance) C4'-P energy: -31.561
bonds (distance) P-C4' energy: -28.638
flat angles C4'-P-C4' energy: -31.536
flat angles P-C4'-P energy: -24.426
tors. eta vs tors. theta energy: -6.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -204.358155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.358155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.358155 (E_RNA)
where:
Base-Base interactions energy: -103.815
where: short stacking energy: -71.763
Base-Backbone interact. energy: -1.564
local terms energy: -98.978607
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -23.826
flat angles C4'-P-C4' energy: -31.692
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -162.736859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.736859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.736859 (E_RNA)
where:
Base-Base interactions energy: -60.871
where: short stacking energy: -29.509
Base-Backbone interact. energy: -0.690
local terms energy: -101.176025
where:
bonds (distance) C4'-P energy: -25.948
bonds (distance) P-C4' energy: -37.392
flat angles C4'-P-C4' energy: -24.102
flat angles P-C4'-P energy: -22.582
tors. eta vs tors. theta energy: 8.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -132.381279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.381279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.381279 (E_RNA)
where:
Base-Base interactions energy: -38.272
where: short stacking energy: -35.736
Base-Backbone interact. energy: -1.063
local terms energy: -93.046348
where:
bonds (distance) C4'-P energy: -33.954
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: 5.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -542.137143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.137143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.137143 (E_RNA)
where:
Base-Base interactions energy: -347.298
where: short stacking energy: -166.366
Base-Backbone interact. energy: -0.314
local terms energy: -194.525532
where:
bonds (distance) C4'-P energy: -32.167
bonds (distance) P-C4' energy: -37.606
flat angles C4'-P-C4' energy: -37.629
flat angles P-C4'-P energy: -31.766
tors. eta vs tors. theta energy: -55.357
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: 2, replica: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -524.447558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.447558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.447558 (E_RNA)
where:
Base-Base interactions energy: -349.897
where: short stacking energy: -151.889
Base-Backbone interact. energy: -0.562
local terms energy: -173.987948
where:
bonds (distance) C4'-P energy: -24.871
bonds (distance) P-C4' energy: -36.128
flat angles C4'-P-C4' energy: -40.377
flat angles P-C4'-P energy: -27.603
tors. eta vs tors. theta energy: -45.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -475.158995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.158995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.158995 (E_RNA)
where:
Base-Base interactions energy: -319.518
where: short stacking energy: -120.685
Base-Backbone interact. energy: -0.943
local terms energy: -154.698431
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -36.283
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -41.989
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: 4, replica: 6
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -451.880049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.880049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.880049 (E_RNA)
where:
Base-Base interactions energy: -292.302
where: short stacking energy: -136.996
Base-Backbone interact. energy: -0.987
local terms energy: -158.590889
where:
bonds (distance) C4'-P energy: -30.435
bonds (distance) P-C4' energy: -33.095
flat angles C4'-P-C4' energy: -37.485
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: -34.543
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: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -427.253365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.253365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.253365 (E_RNA)
where:
Base-Base interactions energy: -264.922
where: short stacking energy: -123.440
Base-Backbone interact. energy: 0.812
local terms energy: -163.143396
where:
bonds (distance) C4'-P energy: -30.191
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -36.778
flat angles P-C4'-P energy: -31.609
tors. eta vs tors. theta energy: -42.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -262.302417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.302417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.302417 (E_RNA)
where:
Base-Base interactions energy: -143.409
where: short stacking energy: -77.537
Base-Backbone interact. energy: -0.908
local terms energy: -117.985341
where:
bonds (distance) C4'-P energy: -31.195
bonds (distance) P-C4' energy: -32.582
flat angles C4'-P-C4' energy: -31.032
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -9.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -254.199022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.199022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.199022 (E_RNA)
where:
Base-Base interactions energy: -138.414
where: short stacking energy: -76.738
Base-Backbone interact. energy: 1.579
local terms energy: -117.364138
where:
bonds (distance) C4'-P energy: -31.548
bonds (distance) P-C4' energy: -31.474
flat angles C4'-P-C4' energy: -25.766
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -168.111928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.111928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.111928 (E_RNA)
where:
Base-Base interactions energy: -55.199
where: short stacking energy: -46.979
Base-Backbone interact. energy: -0.640
local terms energy: -112.273235
where:
bonds (distance) C4'-P energy: -24.745
bonds (distance) P-C4' energy: -33.199
flat angles C4'-P-C4' energy: -29.007
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -11.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -143.925367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.925367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.925367 (E_RNA)
where:
Base-Base interactions energy: -59.412
where: short stacking energy: -41.985
Base-Backbone interact. energy: -0.789
local terms energy: -83.724236
where:
bonds (distance) C4'-P energy: -32.361
bonds (distance) P-C4' energy: -35.056
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: 0.075
tors. eta vs tors. theta energy: 1.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -150.558426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.558426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.558426 (E_RNA)
where:
Base-Base interactions energy: -46.591
where: short stacking energy: -42.820
Base-Backbone interact. energy: 1.068
local terms energy: -105.035672
where:
bonds (distance) C4'-P energy: -25.379
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -27.640
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -532.509130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.509130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.509130 (E_RNA)
where:
Base-Base interactions energy: -338.211
where: short stacking energy: -173.887
Base-Backbone interact. energy: -0.042
local terms energy: -194.256137
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -36.732
flat angles C4'-P-C4' energy: -41.640
flat angles P-C4'-P energy: -27.166
tors. eta vs tors. theta energy: -56.435
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: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -519.072524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.072524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.072524 (E_RNA)
where:
Base-Base interactions energy: -343.034
where: short stacking energy: -142.456
Base-Backbone interact. energy: -2.749
local terms energy: -173.289402
where:
bonds (distance) C4'-P energy: -33.171
bonds (distance) P-C4' energy: -35.055
flat angles C4'-P-C4' energy: -40.796
flat angles P-C4'-P energy: -22.814
tors. eta vs tors. theta energy: -41.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -481.307725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.307725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.307725 (E_RNA)
where:
Base-Base interactions energy: -320.602
where: short stacking energy: -129.362
Base-Backbone interact. energy: -0.757
local terms energy: -159.947812
where:
bonds (distance) C4'-P energy: -36.882
bonds (distance) P-C4' energy: -31.616
flat angles C4'-P-C4' energy: -39.299
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -35.747
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: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -438.547874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.547874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.547874 (E_RNA)
where:
Base-Base interactions energy: -287.041
where: short stacking energy: -127.743
Base-Backbone interact. energy: 0.950
local terms energy: -152.456404
where:
bonds (distance) C4'-P energy: -32.303
bonds (distance) P-C4' energy: -36.534
flat angles C4'-P-C4' energy: -31.893
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -36.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -439.763878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.763878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.763878 (E_RNA)
where:
Base-Base interactions energy: -275.247
where: short stacking energy: -133.439
Base-Backbone interact. energy: -0.238
local terms energy: -164.279263
where:
bonds (distance) C4'-P energy: -33.292
bonds (distance) P-C4' energy: -30.587
flat angles C4'-P-C4' energy: -37.607
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -43.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -291.198227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.198227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.198227 (E_RNA)
where:
Base-Base interactions energy: -180.827
where: short stacking energy: -78.159
Base-Backbone interact. energy: -0.640
local terms energy: -109.731419
where:
bonds (distance) C4'-P energy: -32.140
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -17.681
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: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -279.911270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.911270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.911270 (E_RNA)
where:
Base-Base interactions energy: -155.996
where: short stacking energy: -74.985
Base-Backbone interact. energy: 0.813
local terms energy: -124.727539
where:
bonds (distance) C4'-P energy: -30.768
bonds (distance) P-C4' energy: -27.326
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -168.666164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.666164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.666164 (E_RNA)
where:
Base-Base interactions energy: -60.982
where: short stacking energy: -53.645
Base-Backbone interact. energy: 1.208
local terms energy: -108.891508
where:
bonds (distance) C4'-P energy: -32.171
bonds (distance) P-C4' energy: -34.561
flat angles C4'-P-C4' energy: -29.492
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -168.530124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.530124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.530124 (E_RNA)
where:
Base-Base interactions energy: -73.882
where: short stacking energy: -38.582
Base-Backbone interact. energy: -0.783
local terms energy: -93.865270
where:
bonds (distance) C4'-P energy: -28.508
bonds (distance) P-C4' energy: -35.982
flat angles C4'-P-C4' energy: -25.243
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: 8.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -146.562465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.562465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.562465 (E_RNA)
where:
Base-Base interactions energy: -42.015
where: short stacking energy: -33.391
Base-Backbone interact. energy: -0.247
local terms energy: -104.300386
where:
bonds (distance) C4'-P energy: -29.159
bonds (distance) P-C4' energy: -37.269
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: 1.768
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: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -532.939466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.939466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.939466 (E_RNA)
where:
Base-Base interactions energy: -354.719
where: short stacking energy: -155.163
Base-Backbone interact. energy: -0.307
local terms energy: -177.913683
where:
bonds (distance) C4'-P energy: -34.078
bonds (distance) P-C4' energy: -37.733
flat angles C4'-P-C4' energy: -33.705
flat angles P-C4'-P energy: -24.705
tors. eta vs tors. theta energy: -47.693
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: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -499.127545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.127545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.127545 (E_RNA)
where:
Base-Base interactions energy: -321.904
where: short stacking energy: -142.320
Base-Backbone interact. energy: 1.284
local terms energy: -178.507617
where:
bonds (distance) C4'-P energy: -31.397
bonds (distance) P-C4' energy: -28.715
flat angles C4'-P-C4' energy: -38.606
flat angles P-C4'-P energy: -27.422
tors. eta vs tors. theta energy: -52.368
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: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -423.297170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.297170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.297170 (E_RNA)
where:
Base-Base interactions energy: -281.159
where: short stacking energy: -118.363
Base-Backbone interact. energy: 0.464
local terms energy: -142.601720
where:
bonds (distance) C4'-P energy: -32.979
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -33.839
flat angles P-C4'-P energy: -21.412
tors. eta vs tors. theta energy: -28.735
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: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -478.905280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.905280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.905280 (E_RNA)
where:
Base-Base interactions energy: -309.882
where: short stacking energy: -130.654
Base-Backbone interact. energy: -0.398
local terms energy: -168.626008
where:
bonds (distance) C4'-P energy: -35.676
bonds (distance) P-C4' energy: -31.150
flat angles C4'-P-C4' energy: -40.095
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -44.145
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: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -458.345638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.345638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.345638 (E_RNA)
where:
Base-Base interactions energy: -300.394
where: short stacking energy: -142.052
Base-Backbone interact. energy: -1.502
local terms energy: -156.449553
where:
bonds (distance) C4'-P energy: -32.984
bonds (distance) P-C4' energy: -33.176
flat angles C4'-P-C4' energy: -35.195
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -38.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -259.971599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.971599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.971599 (E_RNA)
where:
Base-Base interactions energy: -131.216
where: short stacking energy: -85.428
Base-Backbone interact. energy: -1.575
local terms energy: -127.180932
where:
bonds (distance) C4'-P energy: -32.448
bonds (distance) P-C4' energy: -26.665
flat angles C4'-P-C4' energy: -28.375
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -20.534
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: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -281.315454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.315454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.315454 (E_RNA)
where:
Base-Base interactions energy: -150.353
where: short stacking energy: -60.711
Base-Backbone interact. energy: -0.282
local terms energy: -130.680893
where:
bonds (distance) C4'-P energy: -30.256
bonds (distance) P-C4' energy: -38.184
flat angles C4'-P-C4' energy: -34.703
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -5.246
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: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -169.520034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.520034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.520034 (E_RNA)
where:
Base-Base interactions energy: -46.139
where: short stacking energy: -31.598
Base-Backbone interact. energy: -0.288
local terms energy: -123.093565
where:
bonds (distance) C4'-P energy: -29.872
bonds (distance) P-C4' energy: -36.013
flat angles C4'-P-C4' energy: -33.851
flat angles P-C4'-P energy: -22.849
tors. eta vs tors. theta energy: -0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -166.347856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.347856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.347856 (E_RNA)
where:
Base-Base interactions energy: -63.515
where: short stacking energy: -42.638
Base-Backbone interact. energy: 2.209
local terms energy: -105.042235
where:
bonds (distance) C4'-P energy: -31.633
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -30.353
flat angles P-C4'-P energy: -20.385
tors. eta vs tors. theta energy: 0.514
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: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -199.844897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.844897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.844897 (E_RNA)
where:
Base-Base interactions energy: -73.176
where: short stacking energy: -49.926
Base-Backbone interact. energy: 0.028
local terms energy: -126.696546
where:
bonds (distance) C4'-P energy: -31.806
bonds (distance) P-C4' energy: -36.338
flat angles C4'-P-C4' energy: -28.444
flat angles P-C4'-P energy: -23.820
tors. eta vs tors. theta energy: -6.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -536.911821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.911821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.911821 (E_RNA)
where:
Base-Base interactions energy: -360.639
where: short stacking energy: -145.329
Base-Backbone interact. energy: 1.116
local terms energy: -177.389042
where:
bonds (distance) C4'-P energy: -36.316
bonds (distance) P-C4' energy: -33.210
flat angles C4'-P-C4' energy: -39.394
flat angles P-C4'-P energy: -27.939
tors. eta vs tors. theta energy: -40.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -472.545794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.545794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.545794 (E_RNA)
where:
Base-Base interactions energy: -291.829
where: short stacking energy: -141.356
Base-Backbone interact. energy: -0.242
local terms energy: -180.474654
where:
bonds (distance) C4'-P energy: -33.912
bonds (distance) P-C4' energy: -32.792
flat angles C4'-P-C4' energy: -39.455
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -43.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -427.627790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.627790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.627790 (E_RNA)
where:
Base-Base interactions energy: -265.931
where: short stacking energy: -116.677
Base-Backbone interact. energy: 0.401
local terms energy: -162.097692
where:
bonds (distance) C4'-P energy: -32.878
bonds (distance) P-C4' energy: -32.397
flat angles C4'-P-C4' energy: -30.177
flat angles P-C4'-P energy: -28.369
tors. eta vs tors. theta energy: -38.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -449.813766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.813766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.813766 (E_RNA)
where:
Base-Base interactions energy: -274.337
where: short stacking energy: -140.275
Base-Backbone interact. energy: -1.082
local terms energy: -174.394897
where:
bonds (distance) C4'-P energy: -34.559
bonds (distance) P-C4' energy: -32.641
flat angles C4'-P-C4' energy: -33.534
flat angles P-C4'-P energy: -25.407
tors. eta vs tors. theta energy: -48.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -442.340618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.340618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.340618 (E_RNA)
where:
Base-Base interactions energy: -298.975
where: short stacking energy: -109.664
Base-Backbone interact. energy: -0.424
local terms energy: -142.941534
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -35.089
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -19.537
tors. eta vs tors. theta energy: -30.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -310.585088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.585088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.585088 (E_RNA)
where:
Base-Base interactions energy: -172.748
where: short stacking energy: -80.256
Base-Backbone interact. energy: -1.712
local terms energy: -136.125629
where:
bonds (distance) C4'-P energy: -28.204
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -24.298
tors. eta vs tors. theta energy: -21.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -244.022320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.022320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.022320 (E_RNA)
where:
Base-Base interactions energy: -122.767
where: short stacking energy: -66.944
Base-Backbone interact. energy: -1.219
local terms energy: -120.035512
where:
bonds (distance) C4'-P energy: -37.897
bonds (distance) P-C4' energy: -30.558
flat angles C4'-P-C4' energy: -25.834
flat angles P-C4'-P energy: -19.826
tors. eta vs tors. theta energy: -5.920
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: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -176.293416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.293416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.293416 (E_RNA)
where:
Base-Base interactions energy: -71.419
where: short stacking energy: -51.684
Base-Backbone interact. energy: 0.906
local terms energy: -105.780920
where:
bonds (distance) C4'-P energy: -30.852
bonds (distance) P-C4' energy: -32.594
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -157.674926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.674926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.674926 (E_RNA)
where:
Base-Base interactions energy: -50.936
where: short stacking energy: -49.323
Base-Backbone interact. energy: 1.901
local terms energy: -108.639887
where:
bonds (distance) C4'-P energy: -30.267
bonds (distance) P-C4' energy: -29.834
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -20.476
tors. eta vs tors. theta energy: -4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -162.831183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.831183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.831183 (E_RNA)
where:
Base-Base interactions energy: -72.651
where: short stacking energy: -38.374
Base-Backbone interact. energy: 2.320
local terms energy: -92.500062
where:
bonds (distance) C4'-P energy: -25.066
bonds (distance) P-C4' energy: -32.724
flat angles C4'-P-C4' energy: -26.761
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: 3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -527.580305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.580305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.580305 (E_RNA)
where:
Base-Base interactions energy: -354.823
where: short stacking energy: -156.514
Base-Backbone interact. energy: -1.080
local terms energy: -171.676892
where:
bonds (distance) C4'-P energy: -32.543
bonds (distance) P-C4' energy: -33.737
flat angles C4'-P-C4' energy: -38.792
flat angles P-C4'-P energy: -22.494
tors. eta vs tors. theta energy: -44.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -507.465329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.465329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.465329 (E_RNA)
where:
Base-Base interactions energy: -328.082
where: short stacking energy: -152.683
Base-Backbone interact. energy: -0.038
local terms energy: -179.345488
where:
bonds (distance) C4'-P energy: -38.768
bonds (distance) P-C4' energy: -31.594
flat angles C4'-P-C4' energy: -38.778
flat angles P-C4'-P energy: -21.449
tors. eta vs tors. theta energy: -48.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -474.591521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.591521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.591521 (E_RNA)
where:
Base-Base interactions energy: -310.044
where: short stacking energy: -133.814
Base-Backbone interact. energy: 0.351
local terms energy: -164.897948
where:
bonds (distance) C4'-P energy: -27.714
bonds (distance) P-C4' energy: -35.812
flat angles C4'-P-C4' energy: -29.791
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -51.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -431.464979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.464979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.464979 (E_RNA)
where:
Base-Base interactions energy: -276.259
where: short stacking energy: -125.481
Base-Backbone interact. energy: -0.237
local terms energy: -154.968771
where:
bonds (distance) C4'-P energy: -33.873
bonds (distance) P-C4' energy: -37.070
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -25.752
tors. eta vs tors. theta energy: -32.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -438.990842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.990842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.990842 (E_RNA)
where:
Base-Base interactions energy: -282.919
where: short stacking energy: -125.122
Base-Backbone interact. energy: -1.114
local terms energy: -154.957730
where:
bonds (distance) C4'-P energy: -33.214
bonds (distance) P-C4' energy: -28.024
flat angles C4'-P-C4' energy: -35.543
flat angles P-C4'-P energy: -21.281
tors. eta vs tors. theta energy: -36.895
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: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -302.440315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.440315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.440315 (E_RNA)
where:
Base-Base interactions energy: -168.878
where: short stacking energy: -88.705
Base-Backbone interact. energy: -1.781
local terms energy: -131.781578
where:
bonds (distance) C4'-P energy: -32.189
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -29.106
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -23.409
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: 7, replica: 2
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -205.905255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.905255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.905255 (E_RNA)
where:
Base-Base interactions energy: -99.807
where: short stacking energy: -60.362
Base-Backbone interact. energy: -1.574
local terms energy: -104.524228
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -34.247
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -16.526
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: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -164.697217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.697217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.697217 (E_RNA)
where:
Base-Base interactions energy: -44.203
where: short stacking energy: -39.224
Base-Backbone interact. energy: -0.588
local terms energy: -119.906681
where:
bonds (distance) C4'-P energy: -33.474
bonds (distance) P-C4' energy: -31.906
flat angles C4'-P-C4' energy: -37.433
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -190.816530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.816530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.816530 (E_RNA)
where:
Base-Base interactions energy: -91.339
where: short stacking energy: -50.090
Base-Backbone interact. energy: -0.525
local terms energy: -98.951969
where:
bonds (distance) C4'-P energy: -27.021
bonds (distance) P-C4' energy: -30.707
flat angles C4'-P-C4' energy: -26.086
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: 3.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -164.867560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.867560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.867560 (E_RNA)
where:
Base-Base interactions energy: -80.636
where: short stacking energy: -38.860
Base-Backbone interact. energy: 0.042
local terms energy: -84.273332
where:
bonds (distance) C4'-P energy: -27.626
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -26.661
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: 8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -519.105392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.105392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.105392 (E_RNA)
where:
Base-Base interactions energy: -338.658
where: short stacking energy: -146.984
Base-Backbone interact. energy: -0.641
local terms energy: -179.807209
where:
bonds (distance) C4'-P energy: -35.850
bonds (distance) P-C4' energy: -33.909
flat angles C4'-P-C4' energy: -40.166
flat angles P-C4'-P energy: -23.726
tors. eta vs tors. theta energy: -46.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -523.824651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.824651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.824651 (E_RNA)
where:
Base-Base interactions energy: -338.425
where: short stacking energy: -161.236
Base-Backbone interact. energy: 1.129
local terms energy: -186.528616
where:
bonds (distance) C4'-P energy: -36.038
bonds (distance) P-C4' energy: -26.455
flat angles C4'-P-C4' energy: -43.145
flat angles P-C4'-P energy: -26.983
tors. eta vs tors. theta energy: -53.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -456.595704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.595704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.595704 (E_RNA)
where:
Base-Base interactions energy: -294.488
where: short stacking energy: -120.610
Base-Backbone interact. energy: -0.266
local terms energy: -161.842562
where:
bonds (distance) C4'-P energy: -30.647
bonds (distance) P-C4' energy: -34.722
flat angles C4'-P-C4' energy: -33.618
flat angles P-C4'-P energy: -20.198
tors. eta vs tors. theta energy: -42.657
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: 4, replica: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -461.759197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.759197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.759197 (E_RNA)
where:
Base-Base interactions energy: -306.931
where: short stacking energy: -109.371
Base-Backbone interact. energy: -0.469
local terms energy: -154.358719
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -36.702
flat angles C4'-P-C4' energy: -31.169
flat angles P-C4'-P energy: -28.639
tors. eta vs tors. theta energy: -34.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -389.670949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.670949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.670949 (E_RNA)
where:
Base-Base interactions energy: -241.082
where: short stacking energy: -101.178
Base-Backbone interact. energy: 1.760
local terms energy: -150.348657
where:
bonds (distance) C4'-P energy: -28.123
bonds (distance) P-C4' energy: -28.052
flat angles C4'-P-C4' energy: -39.235
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -37.906
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: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -289.850663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.850663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.850663 (E_RNA)
where:
Base-Base interactions energy: -167.282
where: short stacking energy: -78.607
Base-Backbone interact. energy: -0.465
local terms energy: -122.103460
where:
bonds (distance) C4'-P energy: -30.749
bonds (distance) P-C4' energy: -25.006
flat angles C4'-P-C4' energy: -33.371
flat angles P-C4'-P energy: -21.093
tors. eta vs tors. theta energy: -11.885
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: 7, replica: 2
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -213.284648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.284648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.284648 (E_RNA)
where:
Base-Base interactions energy: -105.886
where: short stacking energy: -47.594
Base-Backbone interact. energy: -1.013
local terms energy: -106.385045
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -35.898
flat angles C4'-P-C4' energy: -34.611
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: 5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -222.917184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.917184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.917184 (E_RNA)
where:
Base-Base interactions energy: -118.160
where: short stacking energy: -59.209
Base-Backbone interact. energy: -1.135
local terms energy: -103.622087
where:
bonds (distance) C4'-P energy: -32.857
bonds (distance) P-C4' energy: -34.442
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -17.937
tors. eta vs tors. theta energy: 1.873
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: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -153.994059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.994059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.994059 (E_RNA)
where:
Base-Base interactions energy: -57.770
where: short stacking energy: -47.526
Base-Backbone interact. energy: -0.211
local terms energy: -96.012828
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -27.665
flat angles C4'-P-C4' energy: -27.270
flat angles P-C4'-P energy: -4.396
tors. eta vs tors. theta energy: -12.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -140.272591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.272591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.272591 (E_RNA)
where:
Base-Base interactions energy: -38.345
where: short stacking energy: -34.866
Base-Backbone interact. energy: -0.804
local terms energy: -101.123377
where:
bonds (distance) C4'-P energy: -33.469
bonds (distance) P-C4' energy: -29.162
flat angles C4'-P-C4' energy: -30.874
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: 6.073
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: 328
Temperature: 0.900000
Total energy: -539.623358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.623358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.623358 (E_RNA)
where:
Base-Base interactions energy: -341.443
where: short stacking energy: -165.149
Base-Backbone interact. energy: -1.111
local terms energy: -197.069101
where:
bonds (distance) C4'-P energy: -40.720
bonds (distance) P-C4' energy: -39.269
flat angles C4'-P-C4' energy: -37.331
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: -55.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -514.731863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.731863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.731863 (E_RNA)
where:
Base-Base interactions energy: -339.343
where: short stacking energy: -133.524
Base-Backbone interact. energy: -1.265
local terms energy: -174.123962
where:
bonds (distance) C4'-P energy: -30.116
bonds (distance) P-C4' energy: -36.806
flat angles C4'-P-C4' energy: -36.820
flat angles P-C4'-P energy: -26.105
tors. eta vs tors. theta energy: -44.277
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: 6
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -477.244621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.244621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.244621 (E_RNA)
where:
Base-Base interactions energy: -319.560
where: short stacking energy: -149.285
Base-Backbone interact. energy: -0.670
local terms energy: -157.015249
where:
bonds (distance) C4'-P energy: -29.239
bonds (distance) P-C4' energy: -27.602
flat angles C4'-P-C4' energy: -30.701
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -45.224
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: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -466.551228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.551228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.551228 (E_RNA)
where:
Base-Base interactions energy: -312.665
where: short stacking energy: -117.429
Base-Backbone interact. energy: -0.469
local terms energy: -153.417047
where:
bonds (distance) C4'-P energy: -32.849
bonds (distance) P-C4' energy: -30.202
flat angles C4'-P-C4' energy: -34.070
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -37.181
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: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -394.247267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.247267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.247267 (E_RNA)
where:
Base-Base interactions energy: -245.459
where: short stacking energy: -120.849
Base-Backbone interact. energy: -0.084
local terms energy: -148.704073
where:
bonds (distance) C4'-P energy: -25.983
bonds (distance) P-C4' energy: -31.710
flat angles C4'-P-C4' energy: -26.969
flat angles P-C4'-P energy: -28.870
tors. eta vs tors. theta energy: -35.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -278.891357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.891357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.891357 (E_RNA)
where:
Base-Base interactions energy: -150.109
where: short stacking energy: -86.980
Base-Backbone interact. energy: -0.172
local terms energy: -128.610753
where:
bonds (distance) C4'-P energy: -33.044
bonds (distance) P-C4' energy: -35.442
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -231.524244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.524244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.524244 (E_RNA)
where:
Base-Base interactions energy: -120.932
where: short stacking energy: -72.075
Base-Backbone interact. energy: -0.755
local terms energy: -109.837548
where:
bonds (distance) C4'-P energy: -26.473
bonds (distance) P-C4' energy: -38.246
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -12.424
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: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -173.324711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.324711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.324711 (E_RNA)
where:
Base-Base interactions energy: -78.129
where: short stacking energy: -43.780
Base-Backbone interact. energy: 0.974
local terms energy: -96.169667
where:
bonds (distance) C4'-P energy: -31.437
bonds (distance) P-C4' energy: -33.946
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: 7.595
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: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -157.415212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.415212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.415212 (E_RNA)
where:
Base-Base interactions energy: -43.407
where: short stacking energy: -42.553
Base-Backbone interact. energy: -1.113
local terms energy: -112.895519
where:
bonds (distance) C4'-P energy: -30.480
bonds (distance) P-C4' energy: -32.372
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: 3.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -156.136757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.136757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.136757 (E_RNA)
where:
Base-Base interactions energy: -60.134
where: short stacking energy: -29.771
Base-Backbone interact. energy: -1.327
local terms energy: -94.675984
where:
bonds (distance) C4'-P energy: -40.848
bonds (distance) P-C4' energy: -28.034
flat angles C4'-P-C4' energy: -28.087
flat angles P-C4'-P energy: -8.558
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: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -539.399720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.399720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.399720 (E_RNA)
where:
Base-Base interactions energy: -339.407
where: short stacking energy: -157.367
Base-Backbone interact. energy: 0.755
local terms energy: -200.748004
where:
bonds (distance) C4'-P energy: -36.048
bonds (distance) P-C4' energy: -31.951
flat angles C4'-P-C4' energy: -43.315
flat angles P-C4'-P energy: -33.254
tors. eta vs tors. theta energy: -56.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -499.139266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.139266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.139266 (E_RNA)
where:
Base-Base interactions energy: -324.719
where: short stacking energy: -130.384
Base-Backbone interact. energy: -0.504
local terms energy: -173.915762
where:
bonds (distance) C4'-P energy: -33.267
bonds (distance) P-C4' energy: -34.559
flat angles C4'-P-C4' energy: -33.445
flat angles P-C4'-P energy: -28.051
tors. eta vs tors. theta energy: -44.594
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: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -477.096263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.096263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.096263 (E_RNA)
where:
Base-Base interactions energy: -312.789
where: short stacking energy: -137.104
Base-Backbone interact. energy: 1.726
local terms energy: -166.033769
where:
bonds (distance) C4'-P energy: -29.578
bonds (distance) P-C4' energy: -31.324
flat angles C4'-P-C4' energy: -35.671
flat angles P-C4'-P energy: -25.832
tors. eta vs tors. theta energy: -43.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -456.243232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.243232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.243232 (E_RNA)
where:
Base-Base interactions energy: -301.443
where: short stacking energy: -120.735
Base-Backbone interact. energy: 0.784
local terms energy: -155.583713
where:
bonds (distance) C4'-P energy: -33.365
bonds (distance) P-C4' energy: -34.656
flat angles C4'-P-C4' energy: -30.649
flat angles P-C4'-P energy: -24.318
tors. eta vs tors. theta energy: -32.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -414.388404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.388404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.388404 (E_RNA)
where:
Base-Base interactions energy: -251.035
where: short stacking energy: -133.767
Base-Backbone interact. energy: -0.855
local terms energy: -162.498955
where:
bonds (distance) C4'-P energy: -34.241
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -35.782
flat angles P-C4'-P energy: -18.250
tors. eta vs tors. theta energy: -43.632
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: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -229.569330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.569330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.569330 (E_RNA)
where:
Base-Base interactions energy: -99.750
where: short stacking energy: -51.028
Base-Backbone interact. energy: 0.889
local terms energy: -130.708392
where:
bonds (distance) C4'-P energy: -31.066
bonds (distance) P-C4' energy: -33.562
flat angles C4'-P-C4' energy: -32.091
flat angles P-C4'-P energy: -25.947
tors. eta vs tors. theta energy: -8.043
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: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -274.081994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.081994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.081994 (E_RNA)
where:
Base-Base interactions energy: -138.987
where: short stacking energy: -63.802
Base-Backbone interact. energy: -0.852
local terms energy: -134.243625
where:
bonds (distance) C4'-P energy: -29.274
bonds (distance) P-C4' energy: -34.278
flat angles C4'-P-C4' energy: -32.800
flat angles P-C4'-P energy: -23.458
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -159.477068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.477068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.477068 (E_RNA)
where:
Base-Base interactions energy: -51.564
where: short stacking energy: -45.047
Base-Backbone interact. energy: -1.261
local terms energy: -106.652273
where:
bonds (distance) C4'-P energy: -30.871
bonds (distance) P-C4' energy: -25.640
flat angles C4'-P-C4' energy: -29.287
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: 1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -165.998366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.998366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.998366 (E_RNA)
where:
Base-Base interactions energy: -57.514
where: short stacking energy: -53.032
Base-Backbone interact. energy: -0.069
local terms energy: -108.415359
where:
bonds (distance) C4'-P energy: -34.931
bonds (distance) P-C4' energy: -28.623
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -20.668
tors. eta vs tors. theta energy: -0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -150.452345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.452345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.452345 (E_RNA)
where:
Base-Base interactions energy: -54.706
where: short stacking energy: -36.162
Base-Backbone interact. energy: -0.811
local terms energy: -94.935292
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -29.792
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: -6.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -539.652029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.652029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.652029 (E_RNA)
where:
Base-Base interactions energy: -342.770
where: short stacking energy: -158.882
Base-Backbone interact. energy: -0.004
local terms energy: -196.878633
where:
bonds (distance) C4'-P energy: -37.336
bonds (distance) P-C4' energy: -32.388
flat angles C4'-P-C4' energy: -39.292
flat angles P-C4'-P energy: -29.757
tors. eta vs tors. theta energy: -58.106
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: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -482.976937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.976937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.976937 (E_RNA)
where:
Base-Base interactions energy: -315.899
where: short stacking energy: -138.579
Base-Backbone interact. energy: -1.589
local terms energy: -165.488936
where:
bonds (distance) C4'-P energy: -34.734
bonds (distance) P-C4' energy: -31.981
flat angles C4'-P-C4' energy: -32.312
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: -46.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -469.363652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.363652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.363652 (E_RNA)
where:
Base-Base interactions energy: -308.399
where: short stacking energy: -136.353
Base-Backbone interact. energy: 0.831
local terms energy: -161.795599
where:
bonds (distance) C4'-P energy: -29.464
bonds (distance) P-C4' energy: -36.043
flat angles C4'-P-C4' energy: -37.110
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -43.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -474.722938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.722938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.722938 (E_RNA)
where:
Base-Base interactions energy: -322.494
where: short stacking energy: -137.377
Base-Backbone interact. energy: 0.363
local terms energy: -152.591641
where:
bonds (distance) C4'-P energy: -27.207
bonds (distance) P-C4' energy: -29.046
flat angles C4'-P-C4' energy: -31.251
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: -41.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -423.774431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.774431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.774431 (E_RNA)
where:
Base-Base interactions energy: -257.497
where: short stacking energy: -124.919
Base-Backbone interact. energy: -0.107
local terms energy: -166.170522
where:
bonds (distance) C4'-P energy: -30.269
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -32.049
flat angles P-C4'-P energy: -28.215
tors. eta vs tors. theta energy: -45.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -249.882864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.882864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.882864 (E_RNA)
where:
Base-Base interactions energy: -116.220
where: short stacking energy: -80.721
Base-Backbone interact. energy: -0.172
local terms energy: -133.489985
where:
bonds (distance) C4'-P energy: -35.971
bonds (distance) P-C4' energy: -31.119
flat angles C4'-P-C4' energy: -27.640
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -21.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -259.791335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.791335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.791335 (E_RNA)
where:
Base-Base interactions energy: -134.938
where: short stacking energy: -60.134
Base-Backbone interact. energy: -0.210
local terms energy: -124.643255
where:
bonds (distance) C4'-P energy: -30.567
bonds (distance) P-C4' energy: -29.951
flat angles C4'-P-C4' energy: -30.308
flat angles P-C4'-P energy: -23.766
tors. eta vs tors. theta energy: -10.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -173.918548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.918548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.918548 (E_RNA)
where:
Base-Base interactions energy: -68.352
where: short stacking energy: -59.427
Base-Backbone interact. energy: -0.327
local terms energy: -105.239316
where:
bonds (distance) C4'-P energy: -25.173
bonds (distance) P-C4' energy: -31.936
flat angles C4'-P-C4' energy: -26.429
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: -0.079
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: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -151.567312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.567312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.567312 (E_RNA)
where:
Base-Base interactions energy: -58.590
where: short stacking energy: -33.332
Base-Backbone interact. energy: 0.253
local terms energy: -93.230813
where:
bonds (distance) C4'-P energy: -31.607
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: 3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -140.150776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.150776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.150776 (E_RNA)
where:
Base-Base interactions energy: -32.656
where: short stacking energy: -20.880
Base-Backbone interact. energy: -0.900
local terms energy: -106.595395
where:
bonds (distance) C4'-P energy: -25.722
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -33.061
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: 6.595
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: 331
Temperature: 0.900000
Total energy: -548.078119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.078119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.078119 (E_RNA)
where:
Base-Base interactions energy: -358.654
where: short stacking energy: -173.897
Base-Backbone interact. energy: -0.083
local terms energy: -189.341538
where:
bonds (distance) C4'-P energy: -34.954
bonds (distance) P-C4' energy: -34.665
flat angles C4'-P-C4' energy: -43.212
flat angles P-C4'-P energy: -21.052
tors. eta vs tors. theta energy: -55.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -495.691180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.691180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.691180 (E_RNA)
where:
Base-Base interactions energy: -326.350
where: short stacking energy: -139.175
Base-Backbone interact. energy: -1.149
local terms energy: -168.192409
where:
bonds (distance) C4'-P energy: -38.890
bonds (distance) P-C4' energy: -28.665
flat angles C4'-P-C4' energy: -40.327
flat angles P-C4'-P energy: -19.304
tors. eta vs tors. theta energy: -41.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -483.351497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.351497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.351497 (E_RNA)
where:
Base-Base interactions energy: -308.712
where: short stacking energy: -163.476
Base-Backbone interact. energy: 2.143
local terms energy: -176.783133
where:
bonds (distance) C4'-P energy: -32.868
bonds (distance) P-C4' energy: -33.086
flat angles C4'-P-C4' energy: -35.911
flat angles P-C4'-P energy: -27.935
tors. eta vs tors. theta energy: -46.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -484.401783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.401783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.401783 (E_RNA)
where:
Base-Base interactions energy: -330.055
where: short stacking energy: -129.521
Base-Backbone interact. energy: 0.924
local terms energy: -155.271245
where:
bonds (distance) C4'-P energy: -34.236
bonds (distance) P-C4' energy: -25.400
flat angles C4'-P-C4' energy: -35.844
flat angles P-C4'-P energy: -20.556
tors. eta vs tors. theta energy: -39.235
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: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -395.796992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.796992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.796992 (E_RNA)
where:
Base-Base interactions energy: -240.827
where: short stacking energy: -112.727
Base-Backbone interact. energy: -1.260
local terms energy: -153.710113
where:
bonds (distance) C4'-P energy: -29.330
bonds (distance) P-C4' energy: -33.997
flat angles C4'-P-C4' energy: -34.943
flat angles P-C4'-P energy: -21.744
tors. eta vs tors. theta energy: -33.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -265.581711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.581711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.581711 (E_RNA)
where:
Base-Base interactions energy: -145.435
where: short stacking energy: -66.275
Base-Backbone interact. energy: -1.488
local terms energy: -118.659195
where:
bonds (distance) C4'-P energy: -31.329
bonds (distance) P-C4' energy: -34.430
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -13.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -224.561558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.561558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.561558 (E_RNA)
where:
Base-Base interactions energy: -101.921
where: short stacking energy: -57.755
Base-Backbone interact. energy: 0.466
local terms energy: -123.106200
where:
bonds (distance) C4'-P energy: -30.528
bonds (distance) P-C4' energy: -33.595
flat angles C4'-P-C4' energy: -34.705
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -179.260404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.260404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.260404 (E_RNA)
where:
Base-Base interactions energy: -79.703
where: short stacking energy: -53.165
Base-Backbone interact. energy: 1.898
local terms energy: -101.455407
where:
bonds (distance) C4'-P energy: -30.516
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -5.389
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: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -151.812365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.812365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.812365 (E_RNA)
where:
Base-Base interactions energy: -44.322
where: short stacking energy: -37.450
Base-Backbone interact. energy: 0.620
local terms energy: -108.110639
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -32.385
flat angles C4'-P-C4' energy: -27.344
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -147.659848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.659848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.659848 (E_RNA)
where:
Base-Base interactions energy: -59.436
where: short stacking energy: -49.107
Base-Backbone interact. energy: -0.436
local terms energy: -87.788135
where:
bonds (distance) C4'-P energy: -27.314
bonds (distance) P-C4' energy: -32.690
flat angles C4'-P-C4' energy: -26.000
flat angles P-C4'-P energy: -2.404
tors. eta vs tors. theta energy: 0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -539.337071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.337071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.337071 (E_RNA)
where:
Base-Base interactions energy: -344.988
where: short stacking energy: -170.655
Base-Backbone interact. energy: -0.008
local terms energy: -194.341018
where:
bonds (distance) C4'-P energy: -36.210
bonds (distance) P-C4' energy: -35.072
flat angles C4'-P-C4' energy: -40.597
flat angles P-C4'-P energy: -27.126
tors. eta vs tors. theta energy: -55.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -518.770492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.770492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.770492 (E_RNA)
where:
Base-Base interactions energy: -354.273
where: short stacking energy: -155.763
Base-Backbone interact. energy: -0.916
local terms energy: -163.581207
where:
bonds (distance) C4'-P energy: -29.435
bonds (distance) P-C4' energy: -31.997
flat angles C4'-P-C4' energy: -36.366
flat angles P-C4'-P energy: -20.037
tors. eta vs tors. theta energy: -45.745
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: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -511.139715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.139715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.139715 (E_RNA)
where:
Base-Base interactions energy: -335.318
where: short stacking energy: -137.539
Base-Backbone interact. energy: 1.446
local terms energy: -177.268091
where:
bonds (distance) C4'-P energy: -31.326
bonds (distance) P-C4' energy: -34.991
flat angles C4'-P-C4' energy: -40.120
flat angles P-C4'-P energy: -26.617
tors. eta vs tors. theta energy: -44.214
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: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -463.566347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.566347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.566347 (E_RNA)
where:
Base-Base interactions energy: -299.753
where: short stacking energy: -143.742
Base-Backbone interact. energy: -2.211
local terms energy: -161.602266
where:
bonds (distance) C4'-P energy: -26.818
bonds (distance) P-C4' energy: -35.626
flat angles C4'-P-C4' energy: -32.798
flat angles P-C4'-P energy: -24.759
tors. eta vs tors. theta energy: -41.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -421.219512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.219512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.219512 (E_RNA)
where:
Base-Base interactions energy: -251.528
where: short stacking energy: -123.022
Base-Backbone interact. energy: -0.239
local terms energy: -169.453299
where:
bonds (distance) C4'-P energy: -33.305
bonds (distance) P-C4' energy: -36.139
flat angles C4'-P-C4' energy: -39.852
flat angles P-C4'-P energy: -22.859
tors. eta vs tors. theta energy: -37.299
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: 9
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -287.994696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.994696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.994696 (E_RNA)
where:
Base-Base interactions energy: -139.983
where: short stacking energy: -80.695
Base-Backbone interact. energy: -0.864
local terms energy: -147.148511
where:
bonds (distance) C4'-P energy: -35.185
bonds (distance) P-C4' energy: -32.666
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -23.040
tors. eta vs tors. theta energy: -21.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -199.326536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.326536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.326536 (E_RNA)
where:
Base-Base interactions energy: -87.153
where: short stacking energy: -74.337
Base-Backbone interact. energy: -0.250
local terms energy: -111.923962
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -29.207
flat angles C4'-P-C4' energy: -31.027
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -181.722139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.722139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.722139 (E_RNA)
where:
Base-Base interactions energy: -71.995
where: short stacking energy: -61.521
Base-Backbone interact. energy: 0.371
local terms energy: -110.098588
where:
bonds (distance) C4'-P energy: -28.538
bonds (distance) P-C4' energy: -35.160
flat angles C4'-P-C4' energy: -31.600
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -150.774233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.774233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.774233 (E_RNA)
where:
Base-Base interactions energy: -43.441
where: short stacking energy: -39.477
Base-Backbone interact. energy: 1.910
local terms energy: -109.244050
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -37.209
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: 3.143
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: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -165.244228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.244228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.244228 (E_RNA)
where:
Base-Base interactions energy: -57.353
where: short stacking energy: -46.591
Base-Backbone interact. energy: -0.423
local terms energy: -107.467989
where:
bonds (distance) C4'-P energy: -26.391
bonds (distance) P-C4' energy: -36.188
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -541.587768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.587768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.587768 (E_RNA)
where:
Base-Base interactions energy: -346.403
where: short stacking energy: -170.387
Base-Backbone interact. energy: -0.013
local terms energy: -195.171425
where:
bonds (distance) C4'-P energy: -36.564
bonds (distance) P-C4' energy: -34.626
flat angles C4'-P-C4' energy: -41.160
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: -58.299
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: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -508.599676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.599676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.599676 (E_RNA)
where:
Base-Base interactions energy: -339.492
where: short stacking energy: -141.975
Base-Backbone interact. energy: -1.324
local terms energy: -167.783627
where:
bonds (distance) C4'-P energy: -27.750
bonds (distance) P-C4' energy: -33.752
flat angles C4'-P-C4' energy: -32.145
flat angles P-C4'-P energy: -24.749
tors. eta vs tors. theta energy: -49.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -499.788549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.788549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.788549 (E_RNA)
where:
Base-Base interactions energy: -312.860
where: short stacking energy: -141.993
Base-Backbone interact. energy: -0.015
local terms energy: -186.913506
where:
bonds (distance) C4'-P energy: -39.629
bonds (distance) P-C4' energy: -38.558
flat angles C4'-P-C4' energy: -40.650
flat angles P-C4'-P energy: -26.919
tors. eta vs tors. theta energy: -41.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -464.573185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.573185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.573185 (E_RNA)
where:
Base-Base interactions energy: -288.595
where: short stacking energy: -141.797
Base-Backbone interact. energy: 1.007
local terms energy: -176.985244
where:
bonds (distance) C4'-P energy: -32.722
bonds (distance) P-C4' energy: -37.783
flat angles C4'-P-C4' energy: -34.374
flat angles P-C4'-P energy: -25.009
tors. eta vs tors. theta energy: -47.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -425.601832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.601832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.601832 (E_RNA)
where:
Base-Base interactions energy: -273.436
where: short stacking energy: -123.513
Base-Backbone interact. energy: -0.348
local terms energy: -151.817778
where:
bonds (distance) C4'-P energy: -27.785
bonds (distance) P-C4' energy: -34.441
flat angles C4'-P-C4' energy: -29.140
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -42.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -251.720486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.720486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.720486 (E_RNA)
where:
Base-Base interactions energy: -122.132
where: short stacking energy: -61.100
Base-Backbone interact. energy: -1.499
local terms energy: -128.089142
where:
bonds (distance) C4'-P energy: -31.069
bonds (distance) P-C4' energy: -35.639
flat angles C4'-P-C4' energy: -34.590
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -9.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -177.132113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.132113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.132113 (E_RNA)
where:
Base-Base interactions energy: -63.715
where: short stacking energy: -56.888
Base-Backbone interact. energy: -2.008
local terms energy: -111.409837
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -32.992
flat angles C4'-P-C4' energy: -29.157
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -4.021
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: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -176.035127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.035127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.035127 (E_RNA)
where:
Base-Base interactions energy: -65.738
where: short stacking energy: -52.583
Base-Backbone interact. energy: -1.026
local terms energy: -109.271477
where:
bonds (distance) C4'-P energy: -24.175
bonds (distance) P-C4' energy: -37.289
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -19.300
tors. eta vs tors. theta energy: -3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -188.014460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.014460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.014460 (E_RNA)
where:
Base-Base interactions energy: -71.326
where: short stacking energy: -43.009
Base-Backbone interact. energy: 1.135
local terms energy: -117.822990
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -35.024
flat angles C4'-P-C4' energy: -29.115
flat angles P-C4'-P energy: -24.897
tors. eta vs tors. theta energy: -0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -149.523149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.523149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.523149 (E_RNA)
where:
Base-Base interactions energy: -55.616
where: short stacking energy: -46.517
Base-Backbone interact. energy: -0.235
local terms energy: -93.671650
where:
bonds (distance) C4'-P energy: -26.961
bonds (distance) P-C4' energy: -28.900
flat angles C4'-P-C4' energy: -24.952
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: 3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -540.746612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.746612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.746612 (E_RNA)
where:
Base-Base interactions energy: -342.711
where: short stacking energy: -161.371
Base-Backbone interact. energy: -0.012
local terms energy: -198.023668
where:
bonds (distance) C4'-P energy: -36.096
bonds (distance) P-C4' energy: -38.671
flat angles C4'-P-C4' energy: -41.165
flat angles P-C4'-P energy: -24.733
tors. eta vs tors. theta energy: -57.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -515.508531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.508531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.508531 (E_RNA)
where:
Base-Base interactions energy: -343.092
where: short stacking energy: -136.236
Base-Backbone interact. energy: -0.516
local terms energy: -171.901371
where:
bonds (distance) C4'-P energy: -34.848
bonds (distance) P-C4' energy: -37.558
flat angles C4'-P-C4' energy: -33.242
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: -44.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -496.252483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.252483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.252483 (E_RNA)
where:
Base-Base interactions energy: -312.251
where: short stacking energy: -157.069
Base-Backbone interact. energy: -1.115
local terms energy: -182.887025
where:
bonds (distance) C4'-P energy: -30.423
bonds (distance) P-C4' energy: -36.242
flat angles C4'-P-C4' energy: -39.505
flat angles P-C4'-P energy: -21.516
tors. eta vs tors. theta energy: -55.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -473.670702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.670702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.670702 (E_RNA)
where:
Base-Base interactions energy: -317.628
where: short stacking energy: -122.787
Base-Backbone interact. energy: -0.108
local terms energy: -155.934296
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -31.559
flat angles C4'-P-C4' energy: -34.603
flat angles P-C4'-P energy: -22.830
tors. eta vs tors. theta energy: -35.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -297.084639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.084639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.084639 (E_RNA)
where:
Base-Base interactions energy: -159.085
where: short stacking energy: -80.642
Base-Backbone interact. energy: -0.079
local terms energy: -137.920703
where:
bonds (distance) C4'-P energy: -34.839
bonds (distance) P-C4' energy: -30.408
flat angles C4'-P-C4' energy: -37.441
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -16.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -382.539885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.539885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.539885 (E_RNA)
where:
Base-Base interactions energy: -245.721
where: short stacking energy: -108.519
Base-Backbone interact. energy: -0.727
local terms energy: -136.091339
where:
bonds (distance) C4'-P energy: -29.223
bonds (distance) P-C4' energy: -33.859
flat angles C4'-P-C4' energy: -28.474
flat angles P-C4'-P energy: -22.141
tors. eta vs tors. theta energy: -22.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -212.230118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.230118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.230118 (E_RNA)
where:
Base-Base interactions energy: -100.086
where: short stacking energy: -55.196
Base-Backbone interact. energy: -1.460
local terms energy: -110.683711
where:
bonds (distance) C4'-P energy: -29.123
bonds (distance) P-C4' energy: -34.022
flat angles C4'-P-C4' energy: -32.923
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -192.295983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.295983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.295983 (E_RNA)
where:
Base-Base interactions energy: -80.260
where: short stacking energy: -51.525
Base-Backbone interact. energy: -0.586
local terms energy: -111.449213
where:
bonds (distance) C4'-P energy: -32.256
bonds (distance) P-C4' energy: -29.548
flat angles C4'-P-C4' energy: -30.158
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: -1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -171.941187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.941187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.941187 (E_RNA)
where:
Base-Base interactions energy: -56.259
where: short stacking energy: -37.668
Base-Backbone interact. energy: -1.321
local terms energy: -114.360734
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -34.955
flat angles C4'-P-C4' energy: -34.930
flat angles P-C4'-P energy: -26.300
tors. eta vs tors. theta energy: 2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -150.173840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.173840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.173840 (E_RNA)
where:
Base-Base interactions energy: -57.747
where: short stacking energy: -43.590
Base-Backbone interact. energy: -0.978
local terms energy: -91.448629
where:
bonds (distance) C4'-P energy: -26.445
bonds (distance) P-C4' energy: -30.279
flat angles C4'-P-C4' energy: -30.005
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: 7.797
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: 335
Temperature: 0.900000
Total energy: -539.258886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.258886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.258886 (E_RNA)
where:
Base-Base interactions energy: -340.129
where: short stacking energy: -172.218
Base-Backbone interact. energy: -0.081
local terms energy: -199.048719
where:
bonds (distance) C4'-P energy: -35.710
bonds (distance) P-C4' energy: -41.210
flat angles C4'-P-C4' energy: -40.341
flat angles P-C4'-P energy: -25.294
tors. eta vs tors. theta energy: -56.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -498.363688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.363688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.363688 (E_RNA)
where:
Base-Base interactions energy: -328.820
where: short stacking energy: -139.210
Base-Backbone interact. energy: -0.687
local terms energy: -168.856557
where:
bonds (distance) C4'-P energy: -30.782
bonds (distance) P-C4' energy: -33.209
flat angles C4'-P-C4' energy: -33.721
flat angles P-C4'-P energy: -25.349
tors. eta vs tors. theta energy: -45.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -482.201324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.201324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.201324 (E_RNA)
where:
Base-Base interactions energy: -317.823
where: short stacking energy: -167.146
Base-Backbone interact. energy: -1.034
local terms energy: -163.344329
where:
bonds (distance) C4'-P energy: -24.211
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -36.669
flat angles P-C4'-P energy: -24.709
tors. eta vs tors. theta energy: -47.766
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: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -504.116217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.116217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.116217 (E_RNA)
where:
Base-Base interactions energy: -335.773
where: short stacking energy: -143.894
Base-Backbone interact. energy: -0.709
local terms energy: -167.634014
where:
bonds (distance) C4'-P energy: -32.273
bonds (distance) P-C4' energy: -33.435
flat angles C4'-P-C4' energy: -34.289
flat angles P-C4'-P energy: -23.989
tors. eta vs tors. theta energy: -43.648
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: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -301.610674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.610674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.610674 (E_RNA)
where:
Base-Base interactions energy: -158.661
where: short stacking energy: -95.452
Base-Backbone interact. energy: -0.794
local terms energy: -142.155307
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -34.553
flat angles C4'-P-C4' energy: -37.024
flat angles P-C4'-P energy: -24.005
tors. eta vs tors. theta energy: -21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -390.745392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.745392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.745392 (E_RNA)
where:
Base-Base interactions energy: -245.840
where: short stacking energy: -114.157
Base-Backbone interact. energy: 0.271
local terms energy: -145.175866
where:
bonds (distance) C4'-P energy: -24.553
bonds (distance) P-C4' energy: -35.092
flat angles C4'-P-C4' energy: -36.430
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -35.931
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: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -215.147098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.147098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.147098 (E_RNA)
where:
Base-Base interactions energy: -107.153
where: short stacking energy: -59.669
Base-Backbone interact. energy: -0.264
local terms energy: -107.729980
where:
bonds (distance) C4'-P energy: -29.934
bonds (distance) P-C4' energy: -30.565
flat angles C4'-P-C4' energy: -28.918
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -188.803621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.803621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.803621 (E_RNA)
where:
Base-Base interactions energy: -78.741
where: short stacking energy: -39.518
Base-Backbone interact. energy: -0.479
local terms energy: -109.583776
where:
bonds (distance) C4'-P energy: -29.529
bonds (distance) P-C4' energy: -31.078
flat angles C4'-P-C4' energy: -34.808
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: 3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -153.551414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.551414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.551414 (E_RNA)
where:
Base-Base interactions energy: -48.040
where: short stacking energy: -42.019
Base-Backbone interact. energy: -1.091
local terms energy: -104.420891
where:
bonds (distance) C4'-P energy: -32.103
bonds (distance) P-C4' energy: -32.571
flat angles C4'-P-C4' energy: -28.929
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: 3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -132.933537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.933537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.933537 (E_RNA)
where:
Base-Base interactions energy: -30.667
where: short stacking energy: -26.556
Base-Backbone interact. energy: 0.226
local terms energy: -102.493413
where:
bonds (distance) C4'-P energy: -28.124
bonds (distance) P-C4' energy: -36.695
flat angles C4'-P-C4' energy: -27.200
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: 7.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -539.021400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.021400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.021400 (E_RNA)
where:
Base-Base interactions energy: -344.816
where: short stacking energy: -162.081
Base-Backbone interact. energy: -0.001
local terms energy: -194.204436
where:
bonds (distance) C4'-P energy: -35.688
bonds (distance) P-C4' energy: -34.161
flat angles C4'-P-C4' energy: -38.901
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: -58.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -521.396016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.396016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.396016 (E_RNA)
where:
Base-Base interactions energy: -338.430
where: short stacking energy: -149.527
Base-Backbone interact. energy: 0.197
local terms energy: -183.163873
where:
bonds (distance) C4'-P energy: -34.275
bonds (distance) P-C4' energy: -33.172
flat angles C4'-P-C4' energy: -41.719
flat angles P-C4'-P energy: -25.329
tors. eta vs tors. theta energy: -48.669
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: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -517.074463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.074463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.074463 (E_RNA)
where:
Base-Base interactions energy: -347.110
where: short stacking energy: -142.591
Base-Backbone interact. energy: -0.543
local terms energy: -169.421929
where:
bonds (distance) C4'-P energy: -33.754
bonds (distance) P-C4' energy: -32.967
flat angles C4'-P-C4' energy: -36.074
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -41.612
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: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -494.710648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.710648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.710648 (E_RNA)
where:
Base-Base interactions energy: -316.562
where: short stacking energy: -161.495
Base-Backbone interact. energy: -0.813
local terms energy: -177.335087
where:
bonds (distance) C4'-P energy: -36.544
bonds (distance) P-C4' energy: -33.194
flat angles C4'-P-C4' energy: -33.286
flat angles P-C4'-P energy: -21.090
tors. eta vs tors. theta energy: -53.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -406.472970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.472970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.472970 (E_RNA)
where:
Base-Base interactions energy: -255.375
where: short stacking energy: -119.429
Base-Backbone interact. energy: -0.479
local terms energy: -150.618607
where:
bonds (distance) C4'-P energy: -30.010
bonds (distance) P-C4' energy: -28.054
flat angles C4'-P-C4' energy: -33.164
flat angles P-C4'-P energy: -29.589
tors. eta vs tors. theta energy: -29.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -299.263118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.263118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.263118 (E_RNA)
where:
Base-Base interactions energy: -161.930
where: short stacking energy: -88.726
Base-Backbone interact. energy: 0.734
local terms energy: -138.066809
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -37.667
flat angles C4'-P-C4' energy: -29.214
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -20.529
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: 336
Temperature: 1.200000
Total energy: -174.907612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.907612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.907612 (E_RNA)
where:
Base-Base interactions energy: -77.144
where: short stacking energy: -54.142
Base-Backbone interact. energy: -0.414
local terms energy: -97.348995
where:
bonds (distance) C4'-P energy: -28.201
bonds (distance) P-C4' energy: -31.471
flat angles C4'-P-C4' energy: -25.421
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -168.595179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.595179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.595179 (E_RNA)
where:
Base-Base interactions energy: -57.775
where: short stacking energy: -41.149
Base-Backbone interact. energy: -2.509
local terms energy: -108.311719
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -28.748
flat angles C4'-P-C4' energy: -34.729
flat angles P-C4'-P energy: -21.934
tors. eta vs tors. theta energy: -1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -174.120777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.120777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.120777 (E_RNA)
where:
Base-Base interactions energy: -73.196
where: short stacking energy: -51.759
Base-Backbone interact. energy: -1.856
local terms energy: -99.069268
where:
bonds (distance) C4'-P energy: -28.062
bonds (distance) P-C4' energy: -32.543
flat angles C4'-P-C4' energy: -27.540
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -175.750119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.750119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.750119 (E_RNA)
where:
Base-Base interactions energy: -66.000
where: short stacking energy: -42.636
Base-Backbone interact. energy: -1.546
local terms energy: -108.204055
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -37.737
flat angles C4'-P-C4' energy: -28.341
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: -1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -540.759594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.759594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.759594 (E_RNA)
where:
Base-Base interactions energy: -340.135
where: short stacking energy: -160.882
Base-Backbone interact. energy: -0.925
local terms energy: -199.700058
where:
bonds (distance) C4'-P energy: -36.585
bonds (distance) P-C4' energy: -38.310
flat angles C4'-P-C4' energy: -42.557
flat angles P-C4'-P energy: -28.912
tors. eta vs tors. theta energy: -53.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -513.601713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.601713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.601713 (E_RNA)
where:
Base-Base interactions energy: -338.028
where: short stacking energy: -137.079
Base-Backbone interact. energy: -0.720
local terms energy: -174.853091
where:
bonds (distance) C4'-P energy: -36.486
bonds (distance) P-C4' energy: -37.466
flat angles C4'-P-C4' energy: -32.343
flat angles P-C4'-P energy: -24.704
tors. eta vs tors. theta energy: -43.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -477.784210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.784210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.784210 (E_RNA)
where:
Base-Base interactions energy: -303.411
where: short stacking energy: -136.618
Base-Backbone interact. energy: -1.096
local terms energy: -173.277062
where:
bonds (distance) C4'-P energy: -36.868
bonds (distance) P-C4' energy: -37.004
flat angles C4'-P-C4' energy: -34.599
flat angles P-C4'-P energy: -25.320
tors. eta vs tors. theta energy: -39.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -456.402094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.402094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.402094 (E_RNA)
where:
Base-Base interactions energy: -293.442
where: short stacking energy: -123.793
Base-Backbone interact. energy: -1.028
local terms energy: -161.932555
where:
bonds (distance) C4'-P energy: -33.702
bonds (distance) P-C4' energy: -38.671
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -24.021
tors. eta vs tors. theta energy: -41.031
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: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -408.608761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.608761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.608761 (E_RNA)
where:
Base-Base interactions energy: -248.845
where: short stacking energy: -128.837
Base-Backbone interact. energy: -1.257
local terms energy: -158.507045
where:
bonds (distance) C4'-P energy: -39.275
bonds (distance) P-C4' energy: -29.797
flat angles C4'-P-C4' energy: -33.359
flat angles P-C4'-P energy: -22.448
tors. eta vs tors. theta energy: -33.628
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: 9
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -288.155490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.155490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.155490 (E_RNA)
where:
Base-Base interactions energy: -155.565
where: short stacking energy: -73.552
Base-Backbone interact. energy: -0.603
local terms energy: -131.987021
where:
bonds (distance) C4'-P energy: -34.150
bonds (distance) P-C4' energy: -34.310
flat angles C4'-P-C4' energy: -29.330
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -14.907
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: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -176.568939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.568939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.568939 (E_RNA)
where:
Base-Base interactions energy: -60.913
where: short stacking energy: -57.231
Base-Backbone interact. energy: -0.955
local terms energy: -114.700284
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -28.889
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -26.868
tors. eta vs tors. theta energy: 0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -201.865097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.865097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.865097 (E_RNA)
where:
Base-Base interactions energy: -85.898
where: short stacking energy: -59.807
Base-Backbone interact. energy: -0.063
local terms energy: -115.903790
where:
bonds (distance) C4'-P energy: -27.487
bonds (distance) P-C4' energy: -30.225
flat angles C4'-P-C4' energy: -29.456
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -11.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -159.616560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.616560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.616560 (E_RNA)
where:
Base-Base interactions energy: -56.452
where: short stacking energy: -47.258
Base-Backbone interact. energy: -0.794
local terms energy: -102.370290
where:
bonds (distance) C4'-P energy: -23.991
bonds (distance) P-C4' energy: -31.346
flat angles C4'-P-C4' energy: -31.834
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -0.717
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: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -149.280909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.280909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.280909 (E_RNA)
where:
Base-Base interactions energy: -62.109
where: short stacking energy: -39.025
Base-Backbone interact. energy: -1.193
local terms energy: -85.978921
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -36.002
flat angles C4'-P-C4' energy: -25.006
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: 9.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -544.651190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.651190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.651190 (E_RNA)
where:
Base-Base interactions energy: -354.195
where: short stacking energy: -155.268
Base-Backbone interact. energy: -0.552
local terms energy: -189.903919
where:
bonds (distance) C4'-P energy: -40.467
bonds (distance) P-C4' energy: -34.202
flat angles C4'-P-C4' energy: -44.500
flat angles P-C4'-P energy: -21.057
tors. eta vs tors. theta energy: -49.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -521.429614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.429614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.429614 (E_RNA)
where:
Base-Base interactions energy: -336.971
where: short stacking energy: -164.423
Base-Backbone interact. energy: -0.039
local terms energy: -184.419602
where:
bonds (distance) C4'-P energy: -34.582
bonds (distance) P-C4' energy: -31.617
flat angles C4'-P-C4' energy: -39.013
flat angles P-C4'-P energy: -23.683
tors. eta vs tors. theta energy: -55.525
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: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -488.825240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.825240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.825240 (E_RNA)
where:
Base-Base interactions energy: -313.685
where: short stacking energy: -133.994
Base-Backbone interact. energy: -0.802
local terms energy: -174.338207
where:
bonds (distance) C4'-P energy: -32.881
bonds (distance) P-C4' energy: -28.575
flat angles C4'-P-C4' energy: -35.298
flat angles P-C4'-P energy: -28.311
tors. eta vs tors. theta energy: -49.273
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: 338
Temperature: 1.050000
Total energy: -487.600499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.600499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.600499 (E_RNA)
where:
Base-Base interactions energy: -339.532
where: short stacking energy: -134.844
Base-Backbone interact. energy: 0.210
local terms energy: -148.278441
where:
bonds (distance) C4'-P energy: -31.163
bonds (distance) P-C4' energy: -27.131
flat angles C4'-P-C4' energy: -34.367
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -37.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -416.272873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.272873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.272873 (E_RNA)
where:
Base-Base interactions energy: -259.796
where: short stacking energy: -124.625
Base-Backbone interact. energy: -0.337
local terms energy: -156.140197
where:
bonds (distance) C4'-P energy: -27.335
bonds (distance) P-C4' energy: -32.215
flat angles C4'-P-C4' energy: -36.617
flat angles P-C4'-P energy: -24.212
tors. eta vs tors. theta energy: -35.761
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: 9
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -286.079025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.079025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.079025 (E_RNA)
where:
Base-Base interactions energy: -167.980
where: short stacking energy: -84.417
Base-Backbone interact. energy: 2.089
local terms energy: -120.187737
where:
bonds (distance) C4'-P energy: -30.867
bonds (distance) P-C4' energy: -34.177
flat angles C4'-P-C4' energy: -27.869
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -226.132126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.132126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.132126 (E_RNA)
where:
Base-Base interactions energy: -100.564
where: short stacking energy: -51.506
Base-Backbone interact. energy: 1.167
local terms energy: -126.734348
where:
bonds (distance) C4'-P energy: -34.218
bonds (distance) P-C4' energy: -36.149
flat angles C4'-P-C4' energy: -28.465
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -186.308583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.308583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.308583 (E_RNA)
where:
Base-Base interactions energy: -74.074
where: short stacking energy: -43.265
Base-Backbone interact. energy: 0.031
local terms energy: -112.265051
where:
bonds (distance) C4'-P energy: -28.327
bonds (distance) P-C4' energy: -33.863
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -22.329
tors. eta vs tors. theta energy: -2.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -162.508336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.508336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.508336 (E_RNA)
where:
Base-Base interactions energy: -70.621
where: short stacking energy: -45.891
Base-Backbone interact. energy: -0.462
local terms energy: -91.424591
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -29.187
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -144.426030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.426030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.426030 (E_RNA)
where:
Base-Base interactions energy: -49.380
where: short stacking energy: -36.716
Base-Backbone interact. energy: 3.114
local terms energy: -98.160085
where:
bonds (distance) C4'-P energy: -24.603
bonds (distance) P-C4' energy: -31.729
flat angles C4'-P-C4' energy: -25.696
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: 0.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -541.703760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.703760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.703760 (E_RNA)
where:
Base-Base interactions energy: -353.537
where: short stacking energy: -158.841
Base-Backbone interact. energy: -0.576
local terms energy: -187.591384
where:
bonds (distance) C4'-P energy: -34.285
bonds (distance) P-C4' energy: -39.281
flat angles C4'-P-C4' energy: -39.330
flat angles P-C4'-P energy: -25.730
tors. eta vs tors. theta energy: -48.966
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: 6
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -510.289503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.289503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.289503 (E_RNA)
where:
Base-Base interactions energy: -332.012
where: short stacking energy: -164.691
Base-Backbone interact. energy: -0.656
local terms energy: -177.621701
where:
bonds (distance) C4'-P energy: -30.874
bonds (distance) P-C4' energy: -35.004
flat angles C4'-P-C4' energy: -35.508
flat angles P-C4'-P energy: -23.772
tors. eta vs tors. theta energy: -52.464
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: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -525.983495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.983495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.983495 (E_RNA)
where:
Base-Base interactions energy: -336.544
where: short stacking energy: -165.520
Base-Backbone interact. energy: -0.009
local terms energy: -189.431138
where:
bonds (distance) C4'-P energy: -28.095
bonds (distance) P-C4' energy: -38.724
flat angles C4'-P-C4' energy: -40.898
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -62.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -484.154638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.154638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.154638 (E_RNA)
where:
Base-Base interactions energy: -322.752
where: short stacking energy: -141.778
Base-Backbone interact. energy: -0.341
local terms energy: -161.061831
where:
bonds (distance) C4'-P energy: -33.582
bonds (distance) P-C4' energy: -28.762
flat angles C4'-P-C4' energy: -37.687
flat angles P-C4'-P energy: -21.689
tors. eta vs tors. theta energy: -39.342
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: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -429.151851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.151851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.151851 (E_RNA)
where:
Base-Base interactions energy: -268.689
where: short stacking energy: -118.085
Base-Backbone interact. energy: 0.437
local terms energy: -160.899450
where:
bonds (distance) C4'-P energy: -32.063
bonds (distance) P-C4' energy: -32.936
flat angles C4'-P-C4' energy: -33.654
flat angles P-C4'-P energy: -24.349
tors. eta vs tors. theta energy: -37.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -327.940368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.940368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.940368 (E_RNA)
where:
Base-Base interactions energy: -186.925
where: short stacking energy: -90.579
Base-Backbone interact. energy: -0.693
local terms energy: -140.322151
where:
bonds (distance) C4'-P energy: -30.862
bonds (distance) P-C4' energy: -35.634
flat angles C4'-P-C4' energy: -33.238
flat angles P-C4'-P energy: -23.264
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -232.151903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.151903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.151903 (E_RNA)
where:
Base-Base interactions energy: -112.817
where: short stacking energy: -66.406
Base-Backbone interact. energy: -0.646
local terms energy: -118.689353
where:
bonds (distance) C4'-P energy: -30.606
bonds (distance) P-C4' energy: -30.905
flat angles C4'-P-C4' energy: -25.434
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -193.024342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.024342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.024342 (E_RNA)
where:
Base-Base interactions energy: -75.171
where: short stacking energy: -48.979
Base-Backbone interact. energy: -1.367
local terms energy: -116.487109
where:
bonds (distance) C4'-P energy: -33.033
bonds (distance) P-C4' energy: -36.305
flat angles C4'-P-C4' energy: -25.647
flat angles P-C4'-P energy: -19.633
tors. eta vs tors. theta energy: -1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -150.252961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.252961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.252961 (E_RNA)
where:
Base-Base interactions energy: -57.663
where: short stacking energy: -49.694
Base-Backbone interact. energy: -1.147
local terms energy: -91.442539
where:
bonds (distance) C4'-P energy: -24.642
bonds (distance) P-C4' energy: -31.002
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: 2.904
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: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -146.819889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.819889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.819889 (E_RNA)
where:
Base-Base interactions energy: -35.950
where: short stacking energy: -35.790
Base-Backbone interact. energy: -0.304
local terms energy: -110.565523
where:
bonds (distance) C4'-P energy: -29.664
bonds (distance) P-C4' energy: -37.080
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -20.002
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: 1, replica: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -540.860514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.860514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.860514 (E_RNA)
where:
Base-Base interactions energy: -358.979
where: short stacking energy: -158.509
Base-Backbone interact. energy: -0.525
local terms energy: -181.356652
where:
bonds (distance) C4'-P energy: -31.462
bonds (distance) P-C4' energy: -31.880
flat angles C4'-P-C4' energy: -40.794
flat angles P-C4'-P energy: -24.902
tors. eta vs tors. theta energy: -52.318
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: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -504.898317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.898317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.898317 (E_RNA)
where:
Base-Base interactions energy: -312.530
where: short stacking energy: -159.628
Base-Backbone interact. energy: 0.423
local terms energy: -192.791107
where:
bonds (distance) C4'-P energy: -31.186
bonds (distance) P-C4' energy: -39.892
flat angles C4'-P-C4' energy: -40.399
flat angles P-C4'-P energy: -27.908
tors. eta vs tors. theta energy: -53.406
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: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -477.421402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.421402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.421402 (E_RNA)
where:
Base-Base interactions energy: -322.096
where: short stacking energy: -138.531
Base-Backbone interact. energy: -0.745
local terms energy: -154.581218
where:
bonds (distance) C4'-P energy: -37.409
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -28.807
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: -37.482
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: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -471.011998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.011998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.011998 (E_RNA)
where:
Base-Base interactions energy: -300.594
where: short stacking energy: -144.708
Base-Backbone interact. energy: -0.149
local terms energy: -170.268969
where:
bonds (distance) C4'-P energy: -30.936
bonds (distance) P-C4' energy: -36.282
flat angles C4'-P-C4' energy: -32.393
flat angles P-C4'-P energy: -22.006
tors. eta vs tors. theta energy: -48.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -421.343895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.343895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.343895 (E_RNA)
where:
Base-Base interactions energy: -265.062
where: short stacking energy: -123.273
Base-Backbone interact. energy: -0.787
local terms energy: -155.494780
where:
bonds (distance) C4'-P energy: -36.077
bonds (distance) P-C4' energy: -34.151
flat angles C4'-P-C4' energy: -29.047
flat angles P-C4'-P energy: -23.536
tors. eta vs tors. theta energy: -32.685
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: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -334.302029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.302029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.302029 (E_RNA)
where:
Base-Base interactions energy: -205.423
where: short stacking energy: -88.367
Base-Backbone interact. energy: -1.058
local terms energy: -127.821015
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -33.015
flat angles C4'-P-C4' energy: -26.084
flat angles P-C4'-P energy: -23.109
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -214.888216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.888216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.888216 (E_RNA)
where:
Base-Base interactions energy: -96.477
where: short stacking energy: -62.076
Base-Backbone interact. energy: -0.743
local terms energy: -117.668521
where:
bonds (distance) C4'-P energy: -27.595
bonds (distance) P-C4' energy: -32.267
flat angles C4'-P-C4' energy: -32.742
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -197.655748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.655748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.655748 (E_RNA)
where:
Base-Base interactions energy: -78.395
where: short stacking energy: -47.736
Base-Backbone interact. energy: -1.919
local terms energy: -117.341171
where:
bonds (distance) C4'-P energy: -39.343
bonds (distance) P-C4' energy: -34.217
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -20.696
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: 9, replica: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -181.072456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.072456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.072456 (E_RNA)
where:
Base-Base interactions energy: -73.403
where: short stacking energy: -41.591
Base-Backbone interact. energy: -0.814
local terms energy: -106.854958
where:
bonds (distance) C4'-P energy: -30.029
bonds (distance) P-C4' energy: -25.659
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -131.119974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.119974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.119974 (E_RNA)
where:
Base-Base interactions energy: -31.388
where: short stacking energy: -30.677
Base-Backbone interact. energy: 2.708
local terms energy: -102.439558
where:
bonds (distance) C4'-P energy: -34.642
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -27.429
flat angles P-C4'-P energy: -21.404
tors. eta vs tors. theta energy: 5.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -539.411109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.411109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.411109 (E_RNA)
where:
Base-Base interactions energy: -356.468
where: short stacking energy: -152.885
Base-Backbone interact. energy: -0.343
local terms energy: -182.600534
where:
bonds (distance) C4'-P energy: -32.089
bonds (distance) P-C4' energy: -39.105
flat angles C4'-P-C4' energy: -38.220
flat angles P-C4'-P energy: -23.197
tors. eta vs tors. theta energy: -49.989
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: 3
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -503.383152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.383152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.383152 (E_RNA)
where:
Base-Base interactions energy: -337.027
where: short stacking energy: -138.707
Base-Backbone interact. energy: 0.740
local terms energy: -167.096134
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -29.713
flat angles C4'-P-C4' energy: -39.573
flat angles P-C4'-P energy: -27.634
tors. eta vs tors. theta energy: -35.517
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: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -499.305133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.305133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.305133 (E_RNA)
where:
Base-Base interactions energy: -333.753
where: short stacking energy: -150.069
Base-Backbone interact. energy: 0.540
local terms energy: -166.092238
where:
bonds (distance) C4'-P energy: -36.152
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -30.741
flat angles P-C4'-P energy: -20.332
tors. eta vs tors. theta energy: -55.913
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: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -474.989182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.989182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.989182 (E_RNA)
where:
Base-Base interactions energy: -300.056
where: short stacking energy: -139.568
Base-Backbone interact. energy: -0.149
local terms energy: -174.784472
where:
bonds (distance) C4'-P energy: -36.281
bonds (distance) P-C4' energy: -27.557
flat angles C4'-P-C4' energy: -39.219
flat angles P-C4'-P energy: -26.849
tors. eta vs tors. theta energy: -44.879
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: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -421.743249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.743249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.743249 (E_RNA)
where:
Base-Base interactions energy: -280.986
where: short stacking energy: -128.171
Base-Backbone interact. energy: -0.021
local terms energy: -140.735538
where:
bonds (distance) C4'-P energy: -29.354
bonds (distance) P-C4' energy: -23.724
flat angles C4'-P-C4' energy: -25.279
flat angles P-C4'-P energy: -20.518
tors. eta vs tors. theta energy: -41.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -385.066611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.066611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.066611 (E_RNA)
where:
Base-Base interactions energy: -243.032
where: short stacking energy: -104.107
Base-Backbone interact. energy: -0.956
local terms energy: -141.077995
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -32.476
flat angles C4'-P-C4' energy: -31.588
flat angles P-C4'-P energy: -23.193
tors. eta vs tors. theta energy: -25.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -240.271774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.271774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.271774 (E_RNA)
where:
Base-Base interactions energy: -128.370
where: short stacking energy: -70.344
Base-Backbone interact. energy: -0.368
local terms energy: -111.533778
where:
bonds (distance) C4'-P energy: -29.254
bonds (distance) P-C4' energy: -36.200
flat angles C4'-P-C4' energy: -24.568
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -173.435544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.435544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.435544 (E_RNA)
where:
Base-Base interactions energy: -65.266
where: short stacking energy: -41.090
Base-Backbone interact. energy: -0.856
local terms energy: -107.313283
where:
bonds (distance) C4'-P energy: -26.318
bonds (distance) P-C4' energy: -36.120
flat angles C4'-P-C4' energy: -23.683
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -158.488149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.488149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.488149 (E_RNA)
where:
Base-Base interactions energy: -49.434
where: short stacking energy: -46.714
Base-Backbone interact. energy: -1.015
local terms energy: -108.038555
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -34.239
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -21.409
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -147.584727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.584727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.584727 (E_RNA)
where:
Base-Base interactions energy: -46.324
where: short stacking energy: -40.412
Base-Backbone interact. energy: -0.224
local terms energy: -101.037042
where:
bonds (distance) C4'-P energy: -25.789
bonds (distance) P-C4' energy: -31.784
flat angles C4'-P-C4' energy: -29.305
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: 0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -539.788245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.788245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.788245 (E_RNA)
where:
Base-Base interactions energy: -363.487
where: short stacking energy: -152.950
Base-Backbone interact. energy: -0.719
local terms energy: -175.582713
where:
bonds (distance) C4'-P energy: -35.613
bonds (distance) P-C4' energy: -32.052
flat angles C4'-P-C4' energy: -35.387
flat angles P-C4'-P energy: -27.597
tors. eta vs tors. theta energy: -44.934
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: 3
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -511.200571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.200571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.200571 (E_RNA)
where:
Base-Base interactions energy: -345.044
where: short stacking energy: -140.556
Base-Backbone interact. energy: -0.454
local terms energy: -165.702038
where:
bonds (distance) C4'-P energy: -33.150
bonds (distance) P-C4' energy: -34.608
flat angles C4'-P-C4' energy: -31.382
flat angles P-C4'-P energy: -25.618
tors. eta vs tors. theta energy: -40.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -504.467557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.467557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.467557 (E_RNA)
where:
Base-Base interactions energy: -317.811
where: short stacking energy: -141.558
Base-Backbone interact. energy: -1.906
local terms energy: -184.750728
where:
bonds (distance) C4'-P energy: -34.006
bonds (distance) P-C4' energy: -33.430
flat angles C4'-P-C4' energy: -35.530
flat angles P-C4'-P energy: -29.552
tors. eta vs tors. theta energy: -52.234
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: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -482.783922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.783922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.783922 (E_RNA)
where:
Base-Base interactions energy: -319.457
where: short stacking energy: -143.040
Base-Backbone interact. energy: -0.207
local terms energy: -163.120171
where:
bonds (distance) C4'-P energy: -30.974
bonds (distance) P-C4' energy: -34.051
flat angles C4'-P-C4' energy: -37.955
flat angles P-C4'-P energy: -19.376
tors. eta vs tors. theta energy: -40.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -384.185598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.185598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.185598 (E_RNA)
where:
Base-Base interactions energy: -224.890
where: short stacking energy: -101.869
Base-Backbone interact. energy: -0.215
local terms energy: -159.079885
where:
bonds (distance) C4'-P energy: -30.903
bonds (distance) P-C4' energy: -34.404
flat angles C4'-P-C4' energy: -39.324
flat angles P-C4'-P energy: -28.413
tors. eta vs tors. theta energy: -26.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -433.547803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.547803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.547803 (E_RNA)
where:
Base-Base interactions energy: -279.895
where: short stacking energy: -129.770
Base-Backbone interact. energy: 0.772
local terms energy: -154.424347
where:
bonds (distance) C4'-P energy: -38.281
bonds (distance) P-C4' energy: -32.145
flat angles C4'-P-C4' energy: -31.063
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -38.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -205.578572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.578572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.578572 (E_RNA)
where:
Base-Base interactions energy: -90.541
where: short stacking energy: -44.769
Base-Backbone interact. energy: -0.487
local terms energy: -114.550412
where:
bonds (distance) C4'-P energy: -27.044
bonds (distance) P-C4' energy: -36.818
flat angles C4'-P-C4' energy: -28.802
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -0.003
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: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -171.522195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.522195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.522195 (E_RNA)
where:
Base-Base interactions energy: -61.852
where: short stacking energy: -49.998
Base-Backbone interact. energy: -0.287
local terms energy: -109.383668
where:
bonds (distance) C4'-P energy: -32.164
bonds (distance) P-C4' energy: -30.135
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -4.193
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: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -166.271579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.271579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.271579 (E_RNA)
where:
Base-Base interactions energy: -54.117
where: short stacking energy: -40.314
Base-Backbone interact. energy: 2.811
local terms energy: -114.966042
where:
bonds (distance) C4'-P energy: -29.886
bonds (distance) P-C4' energy: -31.268
flat angles C4'-P-C4' energy: -30.310
flat angles P-C4'-P energy: -21.216
tors. eta vs tors. theta energy: -2.285
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: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -147.255007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.255007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.255007 (E_RNA)
where:
Base-Base interactions energy: -39.729
where: short stacking energy: -39.724
Base-Backbone interact. energy: -0.257
local terms energy: -107.269226
where:
bonds (distance) C4'-P energy: -28.557
bonds (distance) P-C4' energy: -27.404
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -18.196
tors. eta vs tors. theta energy: -7.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -513.604406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.604406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.604406 (E_RNA)
where:
Base-Base interactions energy: -338.703
where: short stacking energy: -144.899
Base-Backbone interact. energy: -1.272
local terms energy: -173.629344
where:
bonds (distance) C4'-P energy: -28.838
bonds (distance) P-C4' energy: -36.365
flat angles C4'-P-C4' energy: -36.605
flat angles P-C4'-P energy: -21.009
tors. eta vs tors. theta energy: -50.812
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: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -520.439284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.439284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.439284 (E_RNA)
where:
Base-Base interactions energy: -357.503
where: short stacking energy: -152.299
Base-Backbone interact. energy: -0.056
local terms energy: -162.879777
where:
bonds (distance) C4'-P energy: -32.646
bonds (distance) P-C4' energy: -36.646
flat angles C4'-P-C4' energy: -34.534
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -42.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -491.264951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.264951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.264951 (E_RNA)
where:
Base-Base interactions energy: -324.022
where: short stacking energy: -146.368
Base-Backbone interact. energy: -0.017
local terms energy: -167.225864
where:
bonds (distance) C4'-P energy: -29.736
bonds (distance) P-C4' energy: -32.436
flat angles C4'-P-C4' energy: -34.010
flat angles P-C4'-P energy: -27.168
tors. eta vs tors. theta energy: -43.876
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: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -488.985631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.985631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.985631 (E_RNA)
where:
Base-Base interactions energy: -308.990
where: short stacking energy: -142.078
Base-Backbone interact. energy: -0.308
local terms energy: -179.687366
where:
bonds (distance) C4'-P energy: -26.399
bonds (distance) P-C4' energy: -36.120
flat angles C4'-P-C4' energy: -41.864
flat angles P-C4'-P energy: -28.299
tors. eta vs tors. theta energy: -47.006
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: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -406.718798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.718798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.718798 (E_RNA)
where:
Base-Base interactions energy: -259.003
where: short stacking energy: -103.636
Base-Backbone interact. energy: -0.102
local terms energy: -147.613538
where:
bonds (distance) C4'-P energy: -32.961
bonds (distance) P-C4' energy: -36.275
flat angles C4'-P-C4' energy: -25.242
flat angles P-C4'-P energy: -19.216
tors. eta vs tors. theta energy: -33.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -399.360276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.360276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.360276 (E_RNA)
where:
Base-Base interactions energy: -262.735
where: short stacking energy: -108.953
Base-Backbone interact. energy: 2.953
local terms energy: -139.578219
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -28.820
flat angles C4'-P-C4' energy: -34.110
flat angles P-C4'-P energy: -25.407
tors. eta vs tors. theta energy: -33.328
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: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -169.969538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.969538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.969538 (E_RNA)
where:
Base-Base interactions energy: -68.292
where: short stacking energy: -57.558
Base-Backbone interact. energy: 0.267
local terms energy: -101.944694
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -30.548
flat angles C4'-P-C4' energy: -26.716
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -179.616305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.616305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.616305 (E_RNA)
where:
Base-Base interactions energy: -65.560
where: short stacking energy: -54.334
Base-Backbone interact. energy: -0.359
local terms energy: -113.697448
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -25.735
flat angles C4'-P-C4' energy: -26.782
flat angles P-C4'-P energy: -25.737
tors. eta vs tors. theta energy: -11.312
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: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -159.427978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.427978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.427978 (E_RNA)
where:
Base-Base interactions energy: -53.307
where: short stacking energy: -36.549
Base-Backbone interact. energy: -0.603
local terms energy: -105.517893
where:
bonds (distance) C4'-P energy: -29.671
bonds (distance) P-C4' energy: -33.260
flat angles C4'-P-C4' energy: -23.109
flat angles P-C4'-P energy: -20.849
tors. eta vs tors. theta energy: 1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -190.854494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.854494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.854494 (E_RNA)
where:
Base-Base interactions energy: -72.811
where: short stacking energy: -48.570
Base-Backbone interact. energy: -0.496
local terms energy: -117.548290
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -33.384
flat angles C4'-P-C4' energy: -30.670
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -10.512
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: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -536.499226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.499226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.499226 (E_RNA)
where:
Base-Base interactions energy: -365.888
where: short stacking energy: -152.291
Base-Backbone interact. energy: -1.282
local terms energy: -169.329320
where:
bonds (distance) C4'-P energy: -32.326
bonds (distance) P-C4' energy: -32.435
flat angles C4'-P-C4' energy: -34.211
flat angles P-C4'-P energy: -30.388
tors. eta vs tors. theta energy: -39.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -522.912747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.912747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.912747 (E_RNA)
where:
Base-Base interactions energy: -352.053
where: short stacking energy: -136.863
Base-Backbone interact. energy: -0.965
local terms energy: -169.895041
where:
bonds (distance) C4'-P energy: -31.896
bonds (distance) P-C4' energy: -35.451
flat angles C4'-P-C4' energy: -38.279
flat angles P-C4'-P energy: -21.254
tors. eta vs tors. theta energy: -43.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -497.560612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.560612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.560612 (E_RNA)
where:
Base-Base interactions energy: -323.846
where: short stacking energy: -148.645
Base-Backbone interact. energy: -0.132
local terms energy: -173.582925
where:
bonds (distance) C4'-P energy: -29.188
bonds (distance) P-C4' energy: -30.831
flat angles C4'-P-C4' energy: -39.249
flat angles P-C4'-P energy: -27.753
tors. eta vs tors. theta energy: -46.562
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: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -473.419778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.419778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.419778 (E_RNA)
where:
Base-Base interactions energy: -303.134
where: short stacking energy: -130.842
Base-Backbone interact. energy: -0.619
local terms energy: -169.667298
where:
bonds (distance) C4'-P energy: -27.392
bonds (distance) P-C4' energy: -34.249
flat angles C4'-P-C4' energy: -39.075
flat angles P-C4'-P energy: -25.998
tors. eta vs tors. theta energy: -42.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -432.884126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.884126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.884126 (E_RNA)
where:
Base-Base interactions energy: -277.203
where: short stacking energy: -117.775
Base-Backbone interact. energy: -0.399
local terms energy: -155.281929
where:
bonds (distance) C4'-P energy: -36.604
bonds (distance) P-C4' energy: -33.333
flat angles C4'-P-C4' energy: -35.196
flat angles P-C4'-P energy: -12.710
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: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -399.433448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.433448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.433448 (E_RNA)
where:
Base-Base interactions energy: -232.572
where: short stacking energy: -131.622
Base-Backbone interact. energy: 1.165
local terms energy: -168.025995
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -36.751
flat angles C4'-P-C4' energy: -35.107
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -45.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -179.528065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.528065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.528065 (E_RNA)
where:
Base-Base interactions energy: -65.261
where: short stacking energy: -47.591
Base-Backbone interact. energy: -0.537
local terms energy: -113.729803
where:
bonds (distance) C4'-P energy: -29.388
bonds (distance) P-C4' energy: -37.993
flat angles C4'-P-C4' energy: -36.478
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: 5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -168.314270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.314270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.314270 (E_RNA)
where:
Base-Base interactions energy: -66.899
where: short stacking energy: -63.426
Base-Backbone interact. energy: 0.269
local terms energy: -101.684273
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -27.667
flat angles C4'-P-C4' energy: -28.767
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -185.443051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.443051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.443051 (E_RNA)
where:
Base-Base interactions energy: -62.529
where: short stacking energy: -39.421
Base-Backbone interact. energy: -0.909
local terms energy: -122.005452
where:
bonds (distance) C4'-P energy: -36.312
bonds (distance) P-C4' energy: -27.702
flat angles C4'-P-C4' energy: -31.154
flat angles P-C4'-P energy: -22.747
tors. eta vs tors. theta energy: -4.090
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: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -135.691962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.691962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.691962 (E_RNA)
where:
Base-Base interactions energy: -39.460
where: short stacking energy: -35.408
Base-Backbone interact. energy: -0.534
local terms energy: -95.697897
where:
bonds (distance) C4'-P energy: -31.064
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -21.964
tors. eta vs tors. theta energy: 2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -522.791544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.791544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.791544 (E_RNA)
where:
Base-Base interactions energy: -344.058
where: short stacking energy: -143.208
Base-Backbone interact. energy: 1.242
local terms energy: -179.975415
where:
bonds (distance) C4'-P energy: -36.082
bonds (distance) P-C4' energy: -37.998
flat angles C4'-P-C4' energy: -34.824
flat angles P-C4'-P energy: -26.891
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: 2, replica: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -501.672356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.672356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.672356 (E_RNA)
where:
Base-Base interactions energy: -326.992
where: short stacking energy: -160.706
Base-Backbone interact. energy: -0.077
local terms energy: -174.603704
where:
bonds (distance) C4'-P energy: -31.637
bonds (distance) P-C4' energy: -31.803
flat angles C4'-P-C4' energy: -37.867
flat angles P-C4'-P energy: -28.663
tors. eta vs tors. theta energy: -44.633
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: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -505.528578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.528578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.528578 (E_RNA)
where:
Base-Base interactions energy: -340.935
where: short stacking energy: -131.079
Base-Backbone interact. energy: -0.413
local terms energy: -164.180930
where:
bonds (distance) C4'-P energy: -29.553
bonds (distance) P-C4' energy: -34.715
flat angles C4'-P-C4' energy: -34.553
flat angles P-C4'-P energy: -27.830
tors. eta vs tors. theta energy: -37.531
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: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -478.400767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.400767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.400767 (E_RNA)
where:
Base-Base interactions energy: -310.707
where: short stacking energy: -135.341
Base-Backbone interact. energy: -0.236
local terms energy: -167.458324
where:
bonds (distance) C4'-P energy: -33.489
bonds (distance) P-C4' energy: -30.248
flat angles C4'-P-C4' energy: -35.778
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: -44.773
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: 9
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -446.681982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.681982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.681982 (E_RNA)
where:
Base-Base interactions energy: -289.502
where: short stacking energy: -125.229
Base-Backbone interact. energy: -0.400
local terms energy: -156.779648
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -29.971
flat angles C4'-P-C4' energy: -36.672
flat angles P-C4'-P energy: -21.116
tors. eta vs tors. theta energy: -40.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -372.683786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.683786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.683786 (E_RNA)
where:
Base-Base interactions energy: -216.621
where: short stacking energy: -123.527
Base-Backbone interact. energy: 0.345
local terms energy: -156.407856
where:
bonds (distance) C4'-P energy: -31.838
bonds (distance) P-C4' energy: -33.560
flat angles C4'-P-C4' energy: -36.556
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -37.765
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: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -173.126591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.126591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.126591 (E_RNA)
where:
Base-Base interactions energy: -58.399
where: short stacking energy: -48.696
Base-Backbone interact. energy: -0.738
local terms energy: -113.990517
where:
bonds (distance) C4'-P energy: -34.353
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -28.745
flat angles P-C4'-P energy: -26.327
tors. eta vs tors. theta energy: 1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -184.680403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.680403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.680403 (E_RNA)
where:
Base-Base interactions energy: -68.095
where: short stacking energy: -55.406
Base-Backbone interact. energy: -0.831
local terms energy: -115.754720
where:
bonds (distance) C4'-P energy: -34.969
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -27.241
flat angles P-C4'-P energy: -22.752
tors. eta vs tors. theta energy: -8.164
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: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -168.814386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.814386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.814386 (E_RNA)
where:
Base-Base interactions energy: -48.129
where: short stacking energy: -39.019
Base-Backbone interact. energy: 1.039
local terms energy: -121.724320
where:
bonds (distance) C4'-P energy: -30.625
bonds (distance) P-C4' energy: -32.634
flat angles C4'-P-C4' energy: -30.056
flat angles P-C4'-P energy: -23.729
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -148.169239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.169239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.169239 (E_RNA)
where:
Base-Base interactions energy: -45.873
where: short stacking energy: -44.897
Base-Backbone interact. energy: -0.311
local terms energy: -101.985133
where:
bonds (distance) C4'-P energy: -31.448
bonds (distance) P-C4' energy: -27.192
flat angles C4'-P-C4' energy: -27.694
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -1.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -534.821690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.821690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.821690 (E_RNA)
where:
Base-Base interactions energy: -354.558
where: short stacking energy: -153.234
Base-Backbone interact. energy: -0.181
local terms energy: -180.082734
where:
bonds (distance) C4'-P energy: -33.586
bonds (distance) P-C4' energy: -34.065
flat angles C4'-P-C4' energy: -36.908
flat angles P-C4'-P energy: -30.070
tors. eta vs tors. theta energy: -45.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -532.105741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.105741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.105741 (E_RNA)
where:
Base-Base interactions energy: -341.327
where: short stacking energy: -164.991
Base-Backbone interact. energy: -0.045
local terms energy: -190.734544
where:
bonds (distance) C4'-P energy: -35.236
bonds (distance) P-C4' energy: -35.260
flat angles C4'-P-C4' energy: -41.949
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: -54.063
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: 8
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -501.019124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.019124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.019124 (E_RNA)
where:
Base-Base interactions energy: -332.575
where: short stacking energy: -119.992
Base-Backbone interact. energy: -0.361
local terms energy: -168.083048
where:
bonds (distance) C4'-P energy: -36.372
bonds (distance) P-C4' energy: -38.518
flat angles C4'-P-C4' energy: -34.349
flat angles P-C4'-P energy: -26.193
tors. eta vs tors. theta energy: -32.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -455.820743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.820743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.820743 (E_RNA)
where:
Base-Base interactions energy: -320.514
where: short stacking energy: -109.596
Base-Backbone interact. energy: 0.873
local terms energy: -136.179887
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -29.846
flat angles C4'-P-C4' energy: -27.005
flat angles P-C4'-P energy: -19.950
tors. eta vs tors. theta energy: -28.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -459.640577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.640577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.640577 (E_RNA)
where:
Base-Base interactions energy: -307.437
where: short stacking energy: -135.705
Base-Backbone interact. energy: -0.330
local terms energy: -151.873687
where:
bonds (distance) C4'-P energy: -26.038
bonds (distance) P-C4' energy: -31.232
flat angles C4'-P-C4' energy: -34.530
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -41.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -381.972951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.972951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.972951 (E_RNA)
where:
Base-Base interactions energy: -241.001
where: short stacking energy: -110.964
Base-Backbone interact. energy: -0.273
local terms energy: -140.699497
where:
bonds (distance) C4'-P energy: -31.230
bonds (distance) P-C4' energy: -34.440
flat angles C4'-P-C4' energy: -23.043
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -34.788
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: 2
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -190.181170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.181170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.181170 (E_RNA)
where:
Base-Base interactions energy: -69.340
where: short stacking energy: -69.340
Base-Backbone interact. energy: -0.418
local terms energy: -120.423398
where:
bonds (distance) C4'-P energy: -29.152
bonds (distance) P-C4' energy: -31.630
flat angles C4'-P-C4' energy: -22.749
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -176.213828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.213828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.213828 (E_RNA)
where:
Base-Base interactions energy: -61.018
where: short stacking energy: -53.203
Base-Backbone interact. energy: -0.216
local terms energy: -114.979471
where:
bonds (distance) C4'-P energy: -37.635
bonds (distance) P-C4' energy: -30.873
flat angles C4'-P-C4' energy: -29.495
flat angles P-C4'-P energy: -17.111
tors. eta vs tors. theta energy: 0.134
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: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -182.275580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.275580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.275580 (E_RNA)
where:
Base-Base interactions energy: -74.475
where: short stacking energy: -42.807
Base-Backbone interact. energy: -0.979
local terms energy: -106.821839
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -28.561
flat angles C4'-P-C4' energy: -33.309
flat angles P-C4'-P energy: -25.225
tors. eta vs tors. theta energy: 1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -144.362216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.362216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.362216 (E_RNA)
where:
Base-Base interactions energy: -41.057
where: short stacking energy: -28.132
Base-Backbone interact. energy: 0.449
local terms energy: -103.754570
where:
bonds (distance) C4'-P energy: -36.736
bonds (distance) P-C4' energy: -31.530
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -22.080
tors. eta vs tors. theta energy: 1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -528.887039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.887039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.887039 (E_RNA)
where:
Base-Base interactions energy: -354.844
where: short stacking energy: -161.202
Base-Backbone interact. energy: -0.310
local terms energy: -173.732664
where:
bonds (distance) C4'-P energy: -28.508
bonds (distance) P-C4' energy: -28.689
flat angles C4'-P-C4' energy: -35.493
flat angles P-C4'-P energy: -35.196
tors. eta vs tors. theta energy: -45.846
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: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -531.710803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.710803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.710803 (E_RNA)
where:
Base-Base interactions energy: -345.924
where: short stacking energy: -161.173
Base-Backbone interact. energy: -0.750
local terms energy: -185.037372
where:
bonds (distance) C4'-P energy: -31.267
bonds (distance) P-C4' energy: -33.212
flat angles C4'-P-C4' energy: -34.241
flat angles P-C4'-P energy: -34.367
tors. eta vs tors. theta energy: -51.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -468.934530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.934530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.934530 (E_RNA)
where:
Base-Base interactions energy: -319.135
where: short stacking energy: -124.179
Base-Backbone interact. energy: 1.938
local terms energy: -151.737899
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -32.077
flat angles C4'-P-C4' energy: -34.006
flat angles P-C4'-P energy: -20.725
tors. eta vs tors. theta energy: -37.283
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: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -463.113748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.113748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.113748 (E_RNA)
where:
Base-Base interactions energy: -311.270
where: short stacking energy: -130.853
Base-Backbone interact. energy: -0.873
local terms energy: -150.970858
where:
bonds (distance) C4'-P energy: -26.121
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -32.131
flat angles P-C4'-P energy: -23.611
tors. eta vs tors. theta energy: -34.380
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: 5, replica: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -453.456367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.456367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.456367 (E_RNA)
where:
Base-Base interactions energy: -292.421
where: short stacking energy: -143.538
Base-Backbone interact. energy: -1.655
local terms energy: -159.380604
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -31.425
flat angles C4'-P-C4' energy: -31.628
flat angles P-C4'-P energy: -22.613
tors. eta vs tors. theta energy: -42.783
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: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -400.543391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.543391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.543391 (E_RNA)
where:
Base-Base interactions energy: -250.344
where: short stacking energy: -118.557
Base-Backbone interact. energy: -0.411
local terms energy: -149.787610
where:
bonds (distance) C4'-P energy: -27.421
bonds (distance) P-C4' energy: -26.521
flat angles C4'-P-C4' energy: -35.500
flat angles P-C4'-P energy: -23.631
tors. eta vs tors. theta energy: -36.714
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: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -208.787257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.787257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.787257 (E_RNA)
where:
Base-Base interactions energy: -93.034
where: short stacking energy: -63.638
Base-Backbone interact. energy: -1.583
local terms energy: -114.171002
where:
bonds (distance) C4'-P energy: -22.741
bonds (distance) P-C4' energy: -33.459
flat angles C4'-P-C4' energy: -26.600
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -12.116
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: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -178.714586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.714586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.714586 (E_RNA)
where:
Base-Base interactions energy: -50.206
where: short stacking energy: -33.959
Base-Backbone interact. energy: -1.399
local terms energy: -127.109573
where:
bonds (distance) C4'-P energy: -35.591
bonds (distance) P-C4' energy: -27.902
flat angles C4'-P-C4' energy: -34.518
flat angles P-C4'-P energy: -23.581
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -155.786909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.786909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.786909 (E_RNA)
where:
Base-Base interactions energy: -51.473
where: short stacking energy: -46.355
Base-Backbone interact. energy: -0.302
local terms energy: -104.011792
where:
bonds (distance) C4'-P energy: -27.357
bonds (distance) P-C4' energy: -31.432
flat angles C4'-P-C4' energy: -26.501
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -156.824514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.824514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.824514 (E_RNA)
where:
Base-Base interactions energy: -53.420
where: short stacking energy: -43.668
Base-Backbone interact. energy: -1.023
local terms energy: -102.380881
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -37.618
flat angles C4'-P-C4' energy: -29.670
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: 3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -538.753580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.753580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.753580 (E_RNA)
where:
Base-Base interactions energy: -358.488
where: short stacking energy: -160.860
Base-Backbone interact. energy: -0.182
local terms energy: -180.083936
where:
bonds (distance) C4'-P energy: -36.087
bonds (distance) P-C4' energy: -33.577
flat angles C4'-P-C4' energy: -39.094
flat angles P-C4'-P energy: -28.085
tors. eta vs tors. theta energy: -43.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -518.385335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.385335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.385335 (E_RNA)
where:
Base-Base interactions energy: -325.467
where: short stacking energy: -158.929
Base-Backbone interact. energy: -0.235
local terms energy: -192.683816
where:
bonds (distance) C4'-P energy: -31.471
bonds (distance) P-C4' energy: -32.719
flat angles C4'-P-C4' energy: -43.385
flat angles P-C4'-P energy: -26.658
tors. eta vs tors. theta energy: -58.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -495.432463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.432463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.432463 (E_RNA)
where:
Base-Base interactions energy: -332.835
where: short stacking energy: -135.465
Base-Backbone interact. energy: -0.855
local terms energy: -161.742414
where:
bonds (distance) C4'-P energy: -26.863
bonds (distance) P-C4' energy: -41.982
flat angles C4'-P-C4' energy: -30.973
flat angles P-C4'-P energy: -21.207
tors. eta vs tors. theta energy: -40.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -488.534316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.534316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.534316 (E_RNA)
where:
Base-Base interactions energy: -326.461
where: short stacking energy: -147.974
Base-Backbone interact. energy: 0.709
local terms energy: -162.781627
where:
bonds (distance) C4'-P energy: -34.083
bonds (distance) P-C4' energy: -31.601
flat angles C4'-P-C4' energy: -29.231
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -47.398
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: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -466.528784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.528784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.528784 (E_RNA)
where:
Base-Base interactions energy: -293.472
where: short stacking energy: -136.750
Base-Backbone interact. energy: -0.413
local terms energy: -172.644016
where:
bonds (distance) C4'-P energy: -32.951
bonds (distance) P-C4' energy: -31.934
flat angles C4'-P-C4' energy: -34.389
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -49.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -349.741696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.741696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.741696 (E_RNA)
where:
Base-Base interactions energy: -210.092
where: short stacking energy: -108.485
Base-Backbone interact. energy: -0.285
local terms energy: -139.364869
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -38.142
flat angles C4'-P-C4' energy: -32.252
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -24.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -182.451210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.451210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.451210 (E_RNA)
where:
Base-Base interactions energy: -68.211
where: short stacking energy: -43.136
Base-Backbone interact. energy: -1.215
local terms energy: -113.025917
where:
bonds (distance) C4'-P energy: -35.176
bonds (distance) P-C4' energy: -27.440
flat angles C4'-P-C4' energy: -32.021
flat angles P-C4'-P energy: -19.527
tors. eta vs tors. theta energy: 1.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -188.905997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.905997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.905997 (E_RNA)
where:
Base-Base interactions energy: -65.043
where: short stacking energy: -52.995
Base-Backbone interact. energy: -0.165
local terms energy: -123.698676
where:
bonds (distance) C4'-P energy: -28.788
bonds (distance) P-C4' energy: -35.608
flat angles C4'-P-C4' energy: -31.052
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -179.822552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.822552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.822552 (E_RNA)
where:
Base-Base interactions energy: -86.942
where: short stacking energy: -50.620
Base-Backbone interact. energy: -1.044
local terms energy: -91.836910
where:
bonds (distance) C4'-P energy: -29.958
bonds (distance) P-C4' energy: -22.868
flat angles C4'-P-C4' energy: -28.804
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: 5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -149.483988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.483988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.483988 (E_RNA)
where:
Base-Base interactions energy: -52.095
where: short stacking energy: -49.098
Base-Backbone interact. energy: 0.185
local terms energy: -97.573653
where:
bonds (distance) C4'-P energy: -33.255
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -0.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -530.817634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.817634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.817634 (E_RNA)
where:
Base-Base interactions energy: -367.481
where: short stacking energy: -165.286
Base-Backbone interact. energy: -0.072
local terms energy: -163.264754
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -39.119
flat angles P-C4'-P energy: -25.083
tors. eta vs tors. theta energy: -47.409
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: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -513.708863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.708863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.708863 (E_RNA)
where:
Base-Base interactions energy: -349.065
where: short stacking energy: -130.130
Base-Backbone interact. energy: 5.373
local terms energy: -170.017150
where:
bonds (distance) C4'-P energy: -35.092
bonds (distance) P-C4' energy: -35.354
flat angles C4'-P-C4' energy: -28.805
flat angles P-C4'-P energy: -26.001
tors. eta vs tors. theta energy: -44.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -488.380973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.380973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.380973 (E_RNA)
where:
Base-Base interactions energy: -321.794
where: short stacking energy: -153.568
Base-Backbone interact. energy: -0.600
local terms energy: -165.987179
where:
bonds (distance) C4'-P energy: -26.300
bonds (distance) P-C4' energy: -24.531
flat angles C4'-P-C4' energy: -32.765
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: -55.451
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: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -473.819844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.819844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.819844 (E_RNA)
where:
Base-Base interactions energy: -307.461
where: short stacking energy: -138.820
Base-Backbone interact. energy: 0.739
local terms energy: -167.098373
where:
bonds (distance) C4'-P energy: -31.309
bonds (distance) P-C4' energy: -37.816
flat angles C4'-P-C4' energy: -38.885
flat angles P-C4'-P energy: -21.433
tors. eta vs tors. theta energy: -37.655
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: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -474.895190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.895190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.895190 (E_RNA)
where:
Base-Base interactions energy: -314.143
where: short stacking energy: -129.956
Base-Backbone interact. energy: 0.266
local terms energy: -161.018184
where:
bonds (distance) C4'-P energy: -33.572
bonds (distance) P-C4' energy: -29.583
flat angles C4'-P-C4' energy: -35.028
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -40.416
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: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -331.825044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.825044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.825044 (E_RNA)
where:
Base-Base interactions energy: -192.274
where: short stacking energy: -89.613
Base-Backbone interact. energy: -0.526
local terms energy: -139.024914
where:
bonds (distance) C4'-P energy: -28.629
bonds (distance) P-C4' energy: -31.529
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -23.921
tors. eta vs tors. theta energy: -26.240
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: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -262.773190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.773190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.773190 (E_RNA)
where:
Base-Base interactions energy: -148.666
where: short stacking energy: -77.342
Base-Backbone interact. energy: -1.744
local terms energy: -112.363168
where:
bonds (distance) C4'-P energy: -28.569
bonds (distance) P-C4' energy: -25.788
flat angles C4'-P-C4' energy: -24.425
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -21.203
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: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -172.940240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.940240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.940240 (E_RNA)
where:
Base-Base interactions energy: -60.619
where: short stacking energy: -33.478
Base-Backbone interact. energy: 2.055
local terms energy: -114.376815
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -37.033
flat angles C4'-P-C4' energy: -29.803
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -152.051002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.051002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.051002 (E_RNA)
where:
Base-Base interactions energy: -47.526
where: short stacking energy: -24.905
Base-Backbone interact. energy: -0.408
local terms energy: -104.116579
where:
bonds (distance) C4'-P energy: -28.932
bonds (distance) P-C4' energy: -32.962
flat angles C4'-P-C4' energy: -33.508
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: 5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -150.646273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.646273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.646273 (E_RNA)
where:
Base-Base interactions energy: -52.621
where: short stacking energy: -41.664
Base-Backbone interact. energy: -1.283
local terms energy: -96.741858
where:
bonds (distance) C4'-P energy: -23.365
bonds (distance) P-C4' energy: -33.319
flat angles C4'-P-C4' energy: -26.030
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: 5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -527.237052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.237052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.237052 (E_RNA)
where:
Base-Base interactions energy: -353.142
where: short stacking energy: -146.806
Base-Backbone interact. energy: 2.266
local terms energy: -176.360408
where:
bonds (distance) C4'-P energy: -33.544
bonds (distance) P-C4' energy: -36.262
flat angles C4'-P-C4' energy: -34.016
flat angles P-C4'-P energy: -27.894
tors. eta vs tors. theta energy: -44.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -510.798907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.798907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.798907 (E_RNA)
where:
Base-Base interactions energy: -340.707
where: short stacking energy: -147.879
Base-Backbone interact. energy: -1.031
local terms energy: -169.060929
where:
bonds (distance) C4'-P energy: -34.069
bonds (distance) P-C4' energy: -33.505
flat angles C4'-P-C4' energy: -33.116
flat angles P-C4'-P energy: -29.199
tors. eta vs tors. theta energy: -39.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -507.054264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.054264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.054264 (E_RNA)
where:
Base-Base interactions energy: -318.719
where: short stacking energy: -150.913
Base-Backbone interact. energy: -0.034
local terms energy: -188.301307
where:
bonds (distance) C4'-P energy: -30.103
bonds (distance) P-C4' energy: -37.798
flat angles C4'-P-C4' energy: -40.024
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: -55.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -482.710022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.710022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.710022 (E_RNA)
where:
Base-Base interactions energy: -301.521
where: short stacking energy: -143.198
Base-Backbone interact. energy: 1.285
local terms energy: -182.473366
where:
bonds (distance) C4'-P energy: -37.813
bonds (distance) P-C4' energy: -34.547
flat angles C4'-P-C4' energy: -37.952
flat angles P-C4'-P energy: -23.901
tors. eta vs tors. theta energy: -48.260
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: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -447.701611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.701611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.701611 (E_RNA)
where:
Base-Base interactions energy: -292.970
where: short stacking energy: -117.192
Base-Backbone interact. energy: -0.613
local terms energy: -154.118730
where:
bonds (distance) C4'-P energy: -31.992
bonds (distance) P-C4' energy: -35.430
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -35.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -335.157005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.157005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.157005 (E_RNA)
where:
Base-Base interactions energy: -197.087
where: short stacking energy: -102.982
Base-Backbone interact. energy: -1.016
local terms energy: -137.054434
where:
bonds (distance) C4'-P energy: -29.205
bonds (distance) P-C4' energy: -28.077
flat angles C4'-P-C4' energy: -37.334
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -23.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -236.632370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.632370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.632370 (E_RNA)
where:
Base-Base interactions energy: -131.863
where: short stacking energy: -59.507
Base-Backbone interact. energy: 1.021
local terms energy: -105.790910
where:
bonds (distance) C4'-P energy: -25.566
bonds (distance) P-C4' energy: -34.680
flat angles C4'-P-C4' energy: -22.675
flat angles P-C4'-P energy: -22.004
tors. eta vs tors. theta energy: -0.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -204.394955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.394955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.394955 (E_RNA)
where:
Base-Base interactions energy: -102.350
where: short stacking energy: -64.265
Base-Backbone interact. energy: -2.185
local terms energy: -99.860106
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -35.577
flat angles C4'-P-C4' energy: -26.930
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -164.803928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.803928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.803928 (E_RNA)
where:
Base-Base interactions energy: -59.705
where: short stacking energy: -50.906
Base-Backbone interact. energy: -0.858
local terms energy: -104.241340
where:
bonds (distance) C4'-P energy: -24.699
bonds (distance) P-C4' energy: -32.018
flat angles C4'-P-C4' energy: -29.268
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -158.229682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.229682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.229682 (E_RNA)
where:
Base-Base interactions energy: -75.193
where: short stacking energy: -46.330
Base-Backbone interact. energy: -0.402
local terms energy: -82.634617
where:
bonds (distance) C4'-P energy: -29.116
bonds (distance) P-C4' energy: -28.366
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: 4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -504.555646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.555646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.555646 (E_RNA)
where:
Base-Base interactions energy: -338.878
where: short stacking energy: -131.601
Base-Backbone interact. energy: -0.673
local terms energy: -165.004658
where:
bonds (distance) C4'-P energy: -36.152
bonds (distance) P-C4' energy: -39.560
flat angles C4'-P-C4' energy: -29.633
flat angles P-C4'-P energy: -20.971
tors. eta vs tors. theta energy: -38.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -498.583654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.583654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.583654 (E_RNA)
where:
Base-Base interactions energy: -326.871
where: short stacking energy: -145.371
Base-Backbone interact. energy: -1.529
local terms energy: -170.183610
where:
bonds (distance) C4'-P energy: -30.759
bonds (distance) P-C4' energy: -36.985
flat angles C4'-P-C4' energy: -39.195
flat angles P-C4'-P energy: -23.580
tors. eta vs tors. theta energy: -39.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -494.412977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.412977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.412977 (E_RNA)
where:
Base-Base interactions energy: -321.085
where: short stacking energy: -150.482
Base-Backbone interact. energy: -0.015
local terms energy: -173.312551
where:
bonds (distance) C4'-P energy: -32.361
bonds (distance) P-C4' energy: -25.214
flat angles C4'-P-C4' energy: -39.264
flat angles P-C4'-P energy: -27.235
tors. eta vs tors. theta energy: -49.238
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: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -484.256562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.256562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.256562 (E_RNA)
where:
Base-Base interactions energy: -328.433
where: short stacking energy: -144.731
Base-Backbone interact. energy: 0.430
local terms energy: -156.253716
where:
bonds (distance) C4'-P energy: -30.568
bonds (distance) P-C4' energy: -31.950
flat angles C4'-P-C4' energy: -32.161
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -40.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -446.072389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.072389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.072389 (E_RNA)
where:
Base-Base interactions energy: -273.989
where: short stacking energy: -124.423
Base-Backbone interact. energy: -0.497
local terms energy: -171.586021
where:
bonds (distance) C4'-P energy: -34.969
bonds (distance) P-C4' energy: -33.961
flat angles C4'-P-C4' energy: -32.018
flat angles P-C4'-P energy: -23.202
tors. eta vs tors. theta energy: -47.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -385.052862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.052862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.052862 (E_RNA)
where:
Base-Base interactions energy: -245.166
where: short stacking energy: -124.891
Base-Backbone interact. energy: 0.080
local terms energy: -139.966157
where:
bonds (distance) C4'-P energy: -27.757
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -32.786
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: -34.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -185.009710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.009710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.009710 (E_RNA)
where:
Base-Base interactions energy: -79.565
where: short stacking energy: -58.663
Base-Backbone interact. energy: 0.906
local terms energy: -106.350588
where:
bonds (distance) C4'-P energy: -26.751
bonds (distance) P-C4' energy: -35.729
flat angles C4'-P-C4' energy: -28.678
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -162.904582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.904582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.904582 (E_RNA)
where:
Base-Base interactions energy: -51.732
where: short stacking energy: -35.074
Base-Backbone interact. energy: 0.023
local terms energy: -111.195438
where:
bonds (distance) C4'-P energy: -34.085
bonds (distance) P-C4' energy: -27.250
flat angles C4'-P-C4' energy: -33.812
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: 8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -178.197284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.197284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.197284 (E_RNA)
where:
Base-Base interactions energy: -76.412
where: short stacking energy: -49.166
Base-Backbone interact. energy: -0.407
local terms energy: -101.377507
where:
bonds (distance) C4'-P energy: -26.731
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -31.716
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -0.694
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: 10, replica: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -148.063233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.063233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.063233 (E_RNA)
where:
Base-Base interactions energy: -50.796
where: short stacking energy: -47.352
Base-Backbone interact. energy: -0.173
local terms energy: -97.094548
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -31.889
flat angles P-C4'-P energy: -23.790
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -514.797610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.797610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.797610 (E_RNA)
where:
Base-Base interactions energy: -344.204
where: short stacking energy: -146.709
Base-Backbone interact. energy: -0.441
local terms energy: -170.153127
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -33.334
flat angles C4'-P-C4' energy: -40.725
flat angles P-C4'-P energy: -23.191
tors. eta vs tors. theta energy: -39.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -506.462776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.462776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.462776 (E_RNA)
where:
Base-Base interactions energy: -342.124
where: short stacking energy: -140.525
Base-Backbone interact. energy: 0.520
local terms energy: -164.858765
where:
bonds (distance) C4'-P energy: -27.598
bonds (distance) P-C4' energy: -37.090
flat angles C4'-P-C4' energy: -32.416
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: -43.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -494.233997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.233997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.233997 (E_RNA)
where:
Base-Base interactions energy: -319.669
where: short stacking energy: -147.043
Base-Backbone interact. energy: -0.214
local terms energy: -174.351796
where:
bonds (distance) C4'-P energy: -30.846
bonds (distance) P-C4' energy: -37.442
flat angles C4'-P-C4' energy: -32.299
flat angles P-C4'-P energy: -27.494
tors. eta vs tors. theta energy: -46.271
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: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -481.539214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.539214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.539214 (E_RNA)
where:
Base-Base interactions energy: -311.503
where: short stacking energy: -151.726
Base-Backbone interact. energy: 0.448
local terms energy: -170.484034
where:
bonds (distance) C4'-P energy: -35.275
bonds (distance) P-C4' energy: -31.900
flat angles C4'-P-C4' energy: -35.912
flat angles P-C4'-P energy: -22.157
tors. eta vs tors. theta energy: -45.240
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: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -443.411671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.411671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.411671 (E_RNA)
where:
Base-Base interactions energy: -286.147
where: short stacking energy: -124.690
Base-Backbone interact. energy: 0.949
local terms energy: -158.213341
where:
bonds (distance) C4'-P energy: -25.893
bonds (distance) P-C4' energy: -34.384
flat angles C4'-P-C4' energy: -38.816
flat angles P-C4'-P energy: -25.207
tors. eta vs tors. theta energy: -33.913
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: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -358.404750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.404750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.404750 (E_RNA)
where:
Base-Base interactions energy: -198.993
where: short stacking energy: -96.585
Base-Backbone interact. energy: 0.136
local terms energy: -159.547575
where:
bonds (distance) C4'-P energy: -38.202
bonds (distance) P-C4' energy: -36.012
flat angles C4'-P-C4' energy: -36.815
flat angles P-C4'-P energy: -23.150
tors. eta vs tors. theta energy: -25.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -190.107344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.107344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.107344 (E_RNA)
where:
Base-Base interactions energy: -86.590
where: short stacking energy: -54.491
Base-Backbone interact. energy: -0.314
local terms energy: -103.202953
where:
bonds (distance) C4'-P energy: -30.532
bonds (distance) P-C4' energy: -25.024
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -197.922769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.922769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.922769 (E_RNA)
where:
Base-Base interactions energy: -109.034
where: short stacking energy: -45.964
Base-Backbone interact. energy: -0.732
local terms energy: -88.155932
where:
bonds (distance) C4'-P energy: -29.974
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -152.509420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.509420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.509420 (E_RNA)
where:
Base-Base interactions energy: -60.140
where: short stacking energy: -42.235
Base-Backbone interact. energy: -0.776
local terms energy: -91.593405
where:
bonds (distance) C4'-P energy: -25.463
bonds (distance) P-C4' energy: -25.284
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: 1.490
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: 2
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -166.367905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.367905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.367905 (E_RNA)
where:
Base-Base interactions energy: -81.767
where: short stacking energy: -45.072
Base-Backbone interact. energy: -1.380
local terms energy: -83.221030
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -30.305
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: 3.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -529.921269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.921269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.921269 (E_RNA)
where:
Base-Base interactions energy: -357.958
where: short stacking energy: -151.224
Base-Backbone interact. energy: -0.185
local terms energy: -171.778115
where:
bonds (distance) C4'-P energy: -35.436
bonds (distance) P-C4' energy: -33.861
flat angles C4'-P-C4' energy: -33.688
flat angles P-C4'-P energy: -25.370
tors. eta vs tors. theta energy: -43.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -506.765597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.765597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.765597 (E_RNA)
where:
Base-Base interactions energy: -315.492
where: short stacking energy: -158.718
Base-Backbone interact. energy: -0.230
local terms energy: -191.043356
where:
bonds (distance) C4'-P energy: -34.330
bonds (distance) P-C4' energy: -35.928
flat angles C4'-P-C4' energy: -38.359
flat angles P-C4'-P energy: -30.389
tors. eta vs tors. theta energy: -52.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -497.207939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.207939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.207939 (E_RNA)
where:
Base-Base interactions energy: -342.209
where: short stacking energy: -126.640
Base-Backbone interact. energy: -0.819
local terms energy: -154.179782
where:
bonds (distance) C4'-P energy: -29.821
bonds (distance) P-C4' energy: -34.278
flat angles C4'-P-C4' energy: -35.529
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -39.961
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: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -481.369749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.369749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.369749 (E_RNA)
where:
Base-Base interactions energy: -312.460
where: short stacking energy: -132.072
Base-Backbone interact. energy: -0.170
local terms energy: -168.739913
where:
bonds (distance) C4'-P energy: -32.839
bonds (distance) P-C4' energy: -31.642
flat angles C4'-P-C4' energy: -40.877
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -41.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -454.824755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.824755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.824755 (E_RNA)
where:
Base-Base interactions energy: -293.820
where: short stacking energy: -135.436
Base-Backbone interact. energy: -0.650
local terms energy: -160.354972
where:
bonds (distance) C4'-P energy: -32.232
bonds (distance) P-C4' energy: -32.557
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -21.497
tors. eta vs tors. theta energy: -36.272
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: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -375.945998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.945998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.945998 (E_RNA)
where:
Base-Base interactions energy: -232.776
where: short stacking energy: -121.499
Base-Backbone interact. energy: -0.123
local terms energy: -143.046985
where:
bonds (distance) C4'-P energy: -26.649
bonds (distance) P-C4' energy: -31.624
flat angles C4'-P-C4' energy: -30.591
flat angles P-C4'-P energy: -14.957
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: 7, replica: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -179.326590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.326590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.326590 (E_RNA)
where:
Base-Base interactions energy: -76.287
where: short stacking energy: -44.760
Base-Backbone interact. energy: 1.277
local terms energy: -104.316153
where:
bonds (distance) C4'-P energy: -27.658
bonds (distance) P-C4' energy: -37.416
flat angles C4'-P-C4' energy: -28.348
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -155.046397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.046397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.046397 (E_RNA)
where:
Base-Base interactions energy: -47.168
where: short stacking energy: -40.262
Base-Backbone interact. energy: -0.154
local terms energy: -107.724265
where:
bonds (distance) C4'-P energy: -25.607
bonds (distance) P-C4' energy: -34.110
flat angles C4'-P-C4' energy: -25.314
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -231.593478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.593478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.593478 (E_RNA)
where:
Base-Base interactions energy: -116.394
where: short stacking energy: -69.815
Base-Backbone interact. energy: -0.721
local terms energy: -114.478425
where:
bonds (distance) C4'-P energy: -27.940
bonds (distance) P-C4' energy: -37.089
flat angles C4'-P-C4' energy: -28.168
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -7.239
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: 10, replica: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -138.443698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.443698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.443698 (E_RNA)
where:
Base-Base interactions energy: -53.471
where: short stacking energy: -47.682
Base-Backbone interact. energy: -0.336
local terms energy: -84.637146
where:
bonds (distance) C4'-P energy: -26.515
bonds (distance) P-C4' energy: -32.812
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: 5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -525.891887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.891887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.891887 (E_RNA)
where:
Base-Base interactions energy: -344.138
where: short stacking energy: -151.314
Base-Backbone interact. energy: -0.873
local terms energy: -180.880584
where:
bonds (distance) C4'-P energy: -39.328
bonds (distance) P-C4' energy: -35.912
flat angles C4'-P-C4' energy: -33.948
flat angles P-C4'-P energy: -26.137
tors. eta vs tors. theta energy: -45.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -511.672343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.672343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.672343 (E_RNA)
where:
Base-Base interactions energy: -322.237
where: short stacking energy: -165.152
Base-Backbone interact. energy: -0.121
local terms energy: -189.314903
where:
bonds (distance) C4'-P energy: -37.646
bonds (distance) P-C4' energy: -38.367
flat angles C4'-P-C4' energy: -32.537
flat angles P-C4'-P energy: -26.443
tors. eta vs tors. theta energy: -54.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -506.166031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.166031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.166031 (E_RNA)
where:
Base-Base interactions energy: -328.443
where: short stacking energy: -144.701
Base-Backbone interact. energy: 1.298
local terms energy: -179.021264
where:
bonds (distance) C4'-P energy: -34.132
bonds (distance) P-C4' energy: -38.706
flat angles C4'-P-C4' energy: -39.448
flat angles P-C4'-P energy: -26.729
tors. eta vs tors. theta energy: -40.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -475.714823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.714823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.714823 (E_RNA)
where:
Base-Base interactions energy: -304.793
where: short stacking energy: -135.694
Base-Backbone interact. energy: -0.239
local terms energy: -170.683037
where:
bonds (distance) C4'-P energy: -31.967
bonds (distance) P-C4' energy: -27.324
flat angles C4'-P-C4' energy: -34.759
flat angles P-C4'-P energy: -27.160
tors. eta vs tors. theta energy: -49.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -443.659529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.659529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.659529 (E_RNA)
where:
Base-Base interactions energy: -296.509
where: short stacking energy: -134.735
Base-Backbone interact. energy: -0.210
local terms energy: -146.939869
where:
bonds (distance) C4'-P energy: -32.095
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -37.163
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -38.224
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: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -376.342442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.342442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.342442 (E_RNA)
where:
Base-Base interactions energy: -232.315
where: short stacking energy: -115.023
Base-Backbone interact. energy: 0.974
local terms energy: -145.001286
where:
bonds (distance) C4'-P energy: -30.489
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -28.089
flat angles P-C4'-P energy: -24.246
tors. eta vs tors. theta energy: -30.993
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: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -193.212440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.212440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.212440 (E_RNA)
where:
Base-Base interactions energy: -71.653
where: short stacking energy: -36.942
Base-Backbone interact. energy: 4.829
local terms energy: -126.388576
where:
bonds (distance) C4'-P energy: -35.310
bonds (distance) P-C4' energy: -34.598
flat angles C4'-P-C4' energy: -35.819
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: 0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -164.026971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.026971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.026971 (E_RNA)
where:
Base-Base interactions energy: -65.887
where: short stacking energy: -36.540
Base-Backbone interact. energy: -0.480
local terms energy: -97.659360
where:
bonds (distance) C4'-P energy: -33.303
bonds (distance) P-C4' energy: -33.448
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: 2.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -164.875171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.875171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.875171 (E_RNA)
where:
Base-Base interactions energy: -53.546
where: short stacking energy: -43.823
Base-Backbone interact. energy: -0.320
local terms energy: -111.009027
where:
bonds (distance) C4'-P energy: -38.533
bonds (distance) P-C4' energy: -30.811
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -23.124
tors. eta vs tors. theta energy: 3.329
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: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -156.375490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.375490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.375490 (E_RNA)
where:
Base-Base interactions energy: -56.677
where: short stacking energy: -42.463
Base-Backbone interact. energy: -0.322
local terms energy: -99.375722
where:
bonds (distance) C4'-P energy: -26.374
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -28.559
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -2.342
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: 1, replica: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -526.471262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.471262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.471262 (E_RNA)
where:
Base-Base interactions energy: -338.573
where: short stacking energy: -163.631
Base-Backbone interact. energy: -0.793
local terms energy: -187.105195
where:
bonds (distance) C4'-P energy: -34.620
bonds (distance) P-C4' energy: -38.073
flat angles C4'-P-C4' energy: -35.981
flat angles P-C4'-P energy: -29.510
tors. eta vs tors. theta energy: -48.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -526.540887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.540887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.540887 (E_RNA)
where:
Base-Base interactions energy: -369.873
where: short stacking energy: -135.594
Base-Backbone interact. energy: -0.755
local terms energy: -155.913271
where:
bonds (distance) C4'-P energy: -27.817
bonds (distance) P-C4' energy: -30.326
flat angles C4'-P-C4' energy: -27.922
flat angles P-C4'-P energy: -29.741
tors. eta vs tors. theta energy: -40.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -491.967820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.967820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.967820 (E_RNA)
where:
Base-Base interactions energy: -315.679
where: short stacking energy: -147.346
Base-Backbone interact. energy: -0.300
local terms energy: -175.988477
where:
bonds (distance) C4'-P energy: -32.137
bonds (distance) P-C4' energy: -33.163
flat angles C4'-P-C4' energy: -35.947
flat angles P-C4'-P energy: -21.890
tors. eta vs tors. theta energy: -52.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -473.199404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.199404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.199404 (E_RNA)
where:
Base-Base interactions energy: -305.224
where: short stacking energy: -120.250
Base-Backbone interact. energy: 0.153
local terms energy: -168.128709
where:
bonds (distance) C4'-P energy: -31.759
bonds (distance) P-C4' energy: -37.130
flat angles C4'-P-C4' energy: -33.539
flat angles P-C4'-P energy: -22.593
tors. eta vs tors. theta energy: -43.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -448.063364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.063364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.063364 (E_RNA)
where:
Base-Base interactions energy: -287.098
where: short stacking energy: -123.846
Base-Backbone interact. energy: -1.483
local terms energy: -159.482383
where:
bonds (distance) C4'-P energy: -34.204
bonds (distance) P-C4' energy: -29.601
flat angles C4'-P-C4' energy: -33.263
flat angles P-C4'-P energy: -20.445
tors. eta vs tors. theta energy: -41.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -366.412169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.412169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.412169 (E_RNA)
where:
Base-Base interactions energy: -213.431
where: short stacking energy: -106.282
Base-Backbone interact. energy: -0.167
local terms energy: -152.814508
where:
bonds (distance) C4'-P energy: -31.268
bonds (distance) P-C4' energy: -38.288
flat angles C4'-P-C4' energy: -26.370
flat angles P-C4'-P energy: -28.850
tors. eta vs tors. theta energy: -28.038
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: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -229.587686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.587686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.587686 (E_RNA)
where:
Base-Base interactions energy: -124.109
where: short stacking energy: -82.692
Base-Backbone interact. energy: 0.295
local terms energy: -105.773690
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -31.405
flat angles C4'-P-C4' energy: -37.288
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -7.441
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: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -166.683302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.683302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.683302 (E_RNA)
where:
Base-Base interactions energy: -60.847
where: short stacking energy: -43.921
Base-Backbone interact. energy: -0.627
local terms energy: -105.210223
where:
bonds (distance) C4'-P energy: -32.360
bonds (distance) P-C4' energy: -33.910
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: 0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -204.841113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.841113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.841113 (E_RNA)
where:
Base-Base interactions energy: -94.145
where: short stacking energy: -69.306
Base-Backbone interact. energy: -0.080
local terms energy: -110.616307
where:
bonds (distance) C4'-P energy: -25.132
bonds (distance) P-C4' energy: -25.895
flat angles C4'-P-C4' energy: -27.527
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -13.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -135.720189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.720189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.720189 (E_RNA)
where:
Base-Base interactions energy: -47.546
where: short stacking energy: -35.102
Base-Backbone interact. energy: 0.288
local terms energy: -88.461921
where:
bonds (distance) C4'-P energy: -23.619
bonds (distance) P-C4' energy: -31.090
flat angles C4'-P-C4' energy: -26.339
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: 8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -538.047478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.047478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.047478 (E_RNA)
where:
Base-Base interactions energy: -366.213
where: short stacking energy: -142.368
Base-Backbone interact. energy: 0.254
local terms energy: -172.088833
where:
bonds (distance) C4'-P energy: -36.953
bonds (distance) P-C4' energy: -38.332
flat angles C4'-P-C4' energy: -30.627
flat angles P-C4'-P energy: -24.834
tors. eta vs tors. theta energy: -41.343
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: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -513.650239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.650239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.650239 (E_RNA)
where:
Base-Base interactions energy: -338.222
where: short stacking energy: -149.184
Base-Backbone interact. energy: -0.612
local terms energy: -174.816116
where:
bonds (distance) C4'-P energy: -33.155
bonds (distance) P-C4' energy: -34.144
flat angles C4'-P-C4' energy: -38.052
flat angles P-C4'-P energy: -26.496
tors. eta vs tors. theta energy: -42.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -468.033804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.033804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.033804 (E_RNA)
where:
Base-Base interactions energy: -303.224
where: short stacking energy: -144.569
Base-Backbone interact. energy: -0.702
local terms energy: -164.107955
where:
bonds (distance) C4'-P energy: -28.911
bonds (distance) P-C4' energy: -30.607
flat angles C4'-P-C4' energy: -39.645
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -43.945
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: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -482.024670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.024670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.024670 (E_RNA)
where:
Base-Base interactions energy: -309.244
where: short stacking energy: -119.530
Base-Backbone interact. energy: 1.383
local terms energy: -174.163867
where:
bonds (distance) C4'-P energy: -36.017
bonds (distance) P-C4' energy: -31.121
flat angles C4'-P-C4' energy: -34.328
flat angles P-C4'-P energy: -29.786
tors. eta vs tors. theta energy: -42.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -462.110571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.110571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.110571 (E_RNA)
where:
Base-Base interactions energy: -278.562
where: short stacking energy: -142.319
Base-Backbone interact. energy: -0.246
local terms energy: -183.301874
where:
bonds (distance) C4'-P energy: -38.325
bonds (distance) P-C4' energy: -32.083
flat angles C4'-P-C4' energy: -32.624
flat angles P-C4'-P energy: -29.114
tors. eta vs tors. theta energy: -51.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -374.258032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.258032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.258032 (E_RNA)
where:
Base-Base interactions energy: -239.684
where: short stacking energy: -107.036
Base-Backbone interact. energy: 0.920
local terms energy: -135.494019
where:
bonds (distance) C4'-P energy: -35.017
bonds (distance) P-C4' energy: -28.580
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -24.147
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: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -188.534228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.534228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.534228 (E_RNA)
where:
Base-Base interactions energy: -67.080
where: short stacking energy: -62.437
Base-Backbone interact. energy: 4.181
local terms energy: -125.634748
where:
bonds (distance) C4'-P energy: -36.039
bonds (distance) P-C4' energy: -38.351
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -10.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -255.235590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.235590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.235590 (E_RNA)
where:
Base-Base interactions energy: -151.344
where: short stacking energy: -60.562
Base-Backbone interact. energy: 1.281
local terms energy: -105.172743
where:
bonds (distance) C4'-P energy: -23.571
bonds (distance) P-C4' energy: -30.624
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -16.551
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: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -177.191133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.191133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.191133 (E_RNA)
where:
Base-Base interactions energy: -68.011
where: short stacking energy: -40.037
Base-Backbone interact. energy: 4.536
local terms energy: -113.716391
where:
bonds (distance) C4'-P energy: -29.080
bonds (distance) P-C4' energy: -36.793
flat angles C4'-P-C4' energy: -33.863
flat angles P-C4'-P energy: -21.149
tors. eta vs tors. theta energy: 7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -142.153558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.153558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.153558 (E_RNA)
where:
Base-Base interactions energy: -53.122
where: short stacking energy: -42.701
Base-Backbone interact. energy: 0.665
local terms energy: -89.696720
where:
bonds (distance) C4'-P energy: -25.903
bonds (distance) P-C4' energy: -34.775
flat angles C4'-P-C4' energy: -26.510
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: 6.459
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: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -546.869383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.869383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.869383 (E_RNA)
where:
Base-Base interactions energy: -374.865
where: short stacking energy: -148.293
Base-Backbone interact. energy: 0.975
local terms energy: -172.979612
where:
bonds (distance) C4'-P energy: -32.766
bonds (distance) P-C4' energy: -39.995
flat angles C4'-P-C4' energy: -39.385
flat angles P-C4'-P energy: -17.667
tors. eta vs tors. theta energy: -43.166
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: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -516.775992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.775992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.775992 (E_RNA)
where:
Base-Base interactions energy: -348.400
where: short stacking energy: -155.712
Base-Backbone interact. energy: -0.397
local terms energy: -167.979250
where:
bonds (distance) C4'-P energy: -26.522
bonds (distance) P-C4' energy: -36.179
flat angles C4'-P-C4' energy: -33.362
flat angles P-C4'-P energy: -23.717
tors. eta vs tors. theta energy: -48.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -463.484865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.484865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.484865 (E_RNA)
where:
Base-Base interactions energy: -307.474
where: short stacking energy: -120.976
Base-Backbone interact. energy: 1.728
local terms energy: -157.738172
where:
bonds (distance) C4'-P energy: -33.642
bonds (distance) P-C4' energy: -32.309
flat angles C4'-P-C4' energy: -35.826
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -39.933
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: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -485.065634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.065634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.065634 (E_RNA)
where:
Base-Base interactions energy: -311.743
where: short stacking energy: -141.561
Base-Backbone interact. energy: -1.332
local terms energy: -171.990186
where:
bonds (distance) C4'-P energy: -36.964
bonds (distance) P-C4' energy: -27.895
flat angles C4'-P-C4' energy: -36.068
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -47.110
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: 5, replica: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -486.038263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.038263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.038263 (E_RNA)
where:
Base-Base interactions energy: -316.281
where: short stacking energy: -148.793
Base-Backbone interact. energy: -0.071
local terms energy: -169.686312
where:
bonds (distance) C4'-P energy: -26.037
bonds (distance) P-C4' energy: -34.057
flat angles C4'-P-C4' energy: -40.992
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: -53.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -365.207955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.207955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.207955 (E_RNA)
where:
Base-Base interactions energy: -220.812
where: short stacking energy: -86.871
Base-Backbone interact. energy: -1.397
local terms energy: -142.999039
where:
bonds (distance) C4'-P energy: -34.519
bonds (distance) P-C4' energy: -32.307
flat angles C4'-P-C4' energy: -33.634
flat angles P-C4'-P energy: -18.282
tors. eta vs tors. theta energy: -24.257
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: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -172.921536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.921536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.921536 (E_RNA)
where:
Base-Base interactions energy: -69.144
where: short stacking energy: -51.122
Base-Backbone interact. energy: -0.614
local terms energy: -103.162941
where:
bonds (distance) C4'-P energy: -33.130
bonds (distance) P-C4' energy: -33.960
flat angles C4'-P-C4' energy: -25.140
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -230.591065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.591065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.591065 (E_RNA)
where:
Base-Base interactions energy: -105.744
where: short stacking energy: -70.374
Base-Backbone interact. energy: 0.217
local terms energy: -125.063830
where:
bonds (distance) C4'-P energy: -34.305
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -36.367
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -8.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -154.184614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.184614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.184614 (E_RNA)
where:
Base-Base interactions energy: -48.895
where: short stacking energy: -47.422
Base-Backbone interact. energy: -0.525
local terms energy: -104.764706
where:
bonds (distance) C4'-P energy: -33.371
bonds (distance) P-C4' energy: -36.034
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -163.643685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.643685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.643685 (E_RNA)
where:
Base-Base interactions energy: -50.672
where: short stacking energy: -30.691
Base-Backbone interact. energy: -0.486
local terms energy: -112.485289
where:
bonds (distance) C4'-P energy: -33.561
bonds (distance) P-C4' energy: -35.830
flat angles C4'-P-C4' energy: -27.953
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: 2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -538.867170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.867170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.867170 (E_RNA)
where:
Base-Base interactions energy: -357.669
where: short stacking energy: -149.471
Base-Backbone interact. energy: -0.689
local terms energy: -180.509212
where:
bonds (distance) C4'-P energy: -33.872
bonds (distance) P-C4' energy: -38.954
flat angles C4'-P-C4' energy: -36.523
flat angles P-C4'-P energy: -29.528
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: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -518.489331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.489331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.489331 (E_RNA)
where:
Base-Base interactions energy: -350.191
where: short stacking energy: -133.672
Base-Backbone interact. energy: -0.502
local terms energy: -167.795618
where:
bonds (distance) C4'-P energy: -30.784
bonds (distance) P-C4' energy: -34.666
flat angles C4'-P-C4' energy: -39.467
flat angles P-C4'-P energy: -21.736
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: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -514.720267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.720267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.720267 (E_RNA)
where:
Base-Base interactions energy: -326.135
where: short stacking energy: -154.615
Base-Backbone interact. energy: -0.767
local terms energy: -187.817582
where:
bonds (distance) C4'-P energy: -33.698
bonds (distance) P-C4' energy: -35.000
flat angles C4'-P-C4' energy: -36.905
flat angles P-C4'-P energy: -29.120
tors. eta vs tors. theta energy: -53.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -447.373878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.373878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.373878 (E_RNA)
where:
Base-Base interactions energy: -306.251
where: short stacking energy: -136.141
Base-Backbone interact. energy: 4.049
local terms energy: -145.172235
where:
bonds (distance) C4'-P energy: -32.695
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -30.885
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -41.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -485.438295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.438295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.438295 (E_RNA)
where:
Base-Base interactions energy: -321.635
where: short stacking energy: -136.343
Base-Backbone interact. energy: 0.056
local terms energy: -163.858782
where:
bonds (distance) C4'-P energy: -28.872
bonds (distance) P-C4' energy: -38.733
flat angles C4'-P-C4' energy: -37.652
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -42.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -392.708679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.708679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.708679 (E_RNA)
where:
Base-Base interactions energy: -252.048
where: short stacking energy: -97.013
Base-Backbone interact. energy: -0.626
local terms energy: -140.034888
where:
bonds (distance) C4'-P energy: -30.530
bonds (distance) P-C4' energy: -26.994
flat angles C4'-P-C4' energy: -40.501
flat angles P-C4'-P energy: -22.698
tors. eta vs tors. theta energy: -19.312
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: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -202.156072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.156072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.156072 (E_RNA)
where:
Base-Base interactions energy: -94.008
where: short stacking energy: -41.804
Base-Backbone interact. energy: -0.631
local terms energy: -107.517395
where:
bonds (distance) C4'-P energy: -36.359
bonds (distance) P-C4' energy: -40.112
flat angles C4'-P-C4' energy: -31.259
flat angles P-C4'-P energy: -6.733
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: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -183.943047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.943047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.943047 (E_RNA)
where:
Base-Base interactions energy: -59.152
where: short stacking energy: -48.819
Base-Backbone interact. energy: 0.300
local terms energy: -125.091117
where:
bonds (distance) C4'-P energy: -35.864
bonds (distance) P-C4' energy: -32.994
flat angles C4'-P-C4' energy: -31.994
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -9.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -164.287125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.287125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.287125 (E_RNA)
where:
Base-Base interactions energy: -69.830
where: short stacking energy: -45.707
Base-Backbone interact. energy: -1.386
local terms energy: -93.071319
where:
bonds (distance) C4'-P energy: -26.829
bonds (distance) P-C4' energy: -32.747
flat angles C4'-P-C4' energy: -24.951
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: 4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -147.266273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.266273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.266273 (E_RNA)
where:
Base-Base interactions energy: -50.156
where: short stacking energy: -45.407
Base-Backbone interact. energy: -1.599
local terms energy: -95.510983
where:
bonds (distance) C4'-P energy: -27.826
bonds (distance) P-C4' energy: -30.938
flat angles C4'-P-C4' energy: -25.842
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: 3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -535.372555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.372555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.372555 (E_RNA)
where:
Base-Base interactions energy: -363.340
where: short stacking energy: -148.911
Base-Backbone interact. energy: -1.873
local terms energy: -170.159919
where:
bonds (distance) C4'-P energy: -30.640
bonds (distance) P-C4' energy: -37.360
flat angles C4'-P-C4' energy: -31.990
flat angles P-C4'-P energy: -26.294
tors. eta vs tors. theta energy: -43.876
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: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -523.109670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.109670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.109670 (E_RNA)
where:
Base-Base interactions energy: -335.427
where: short stacking energy: -153.965
Base-Backbone interact. energy: -0.440
local terms energy: -187.242619
where:
bonds (distance) C4'-P energy: -24.398
bonds (distance) P-C4' energy: -37.520
flat angles C4'-P-C4' energy: -40.431
flat angles P-C4'-P energy: -30.171
tors. eta vs tors. theta energy: -54.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -516.959127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.959127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.959127 (E_RNA)
where:
Base-Base interactions energy: -350.443
where: short stacking energy: -132.885
Base-Backbone interact. energy: -0.431
local terms energy: -166.085383
where:
bonds (distance) C4'-P energy: -33.312
bonds (distance) P-C4' energy: -36.419
flat angles C4'-P-C4' energy: -38.155
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -40.553
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: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -497.420786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.420786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.420786 (E_RNA)
where:
Base-Base interactions energy: -315.946
where: short stacking energy: -143.770
Base-Backbone interact. energy: -0.014
local terms energy: -181.460960
where:
bonds (distance) C4'-P energy: -26.952
bonds (distance) P-C4' energy: -41.007
flat angles C4'-P-C4' energy: -36.374
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: -54.158
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: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -445.750881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.750881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.750881 (E_RNA)
where:
Base-Base interactions energy: -276.920
where: short stacking energy: -130.577
Base-Backbone interact. energy: -0.975
local terms energy: -167.856032
where:
bonds (distance) C4'-P energy: -30.904
bonds (distance) P-C4' energy: -31.266
flat angles C4'-P-C4' energy: -35.714
flat angles P-C4'-P energy: -23.777
tors. eta vs tors. theta energy: -46.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -358.356869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.356869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.356869 (E_RNA)
where:
Base-Base interactions energy: -218.124
where: short stacking energy: -79.086
Base-Backbone interact. energy: -0.476
local terms energy: -139.757060
where:
bonds (distance) C4'-P energy: -30.966
bonds (distance) P-C4' energy: -31.467
flat angles C4'-P-C4' energy: -40.205
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -24.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -177.722352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.722352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.722352 (E_RNA)
where:
Base-Base interactions energy: -62.256
where: short stacking energy: -32.517
Base-Backbone interact. energy: -0.686
local terms energy: -114.779764
where:
bonds (distance) C4'-P energy: -35.151
bonds (distance) P-C4' energy: -32.324
flat angles C4'-P-C4' energy: -26.878
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -246.931018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.931018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.931018 (E_RNA)
where:
Base-Base interactions energy: -125.617
where: short stacking energy: -67.277
Base-Backbone interact. energy: -0.043
local terms energy: -121.270739
where:
bonds (distance) C4'-P energy: -33.385
bonds (distance) P-C4' energy: -33.135
flat angles C4'-P-C4' energy: -30.161
flat angles P-C4'-P energy: -20.931
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -148.769402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.769402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.769402 (E_RNA)
where:
Base-Base interactions energy: -54.553
where: short stacking energy: -38.815
Base-Backbone interact. energy: 1.190
local terms energy: -95.407192
where:
bonds (distance) C4'-P energy: -34.812
bonds (distance) P-C4' energy: -26.191
flat angles C4'-P-C4' energy: -22.259
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: 5.618
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: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -141.879810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.879810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.879810 (E_RNA)
where:
Base-Base interactions energy: -46.727
where: short stacking energy: -39.174
Base-Backbone interact. energy: -0.039
local terms energy: -95.113095
where:
bonds (distance) C4'-P energy: -27.128
bonds (distance) P-C4' energy: -31.593
flat angles C4'-P-C4' energy: -25.837
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: 1.314
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: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -533.618248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.618248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.618248 (E_RNA)
where:
Base-Base interactions energy: -365.615
where: short stacking energy: -153.732
Base-Backbone interact. energy: -0.131
local terms energy: -167.872558
where:
bonds (distance) C4'-P energy: -37.166
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -36.703
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -48.106
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: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -499.592235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.592235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.592235 (E_RNA)
where:
Base-Base interactions energy: -324.861
where: short stacking energy: -145.825
Base-Backbone interact. energy: -0.466
local terms energy: -174.265219
where:
bonds (distance) C4'-P energy: -27.121
bonds (distance) P-C4' energy: -36.330
flat angles C4'-P-C4' energy: -40.029
flat angles P-C4'-P energy: -23.724
tors. eta vs tors. theta energy: -47.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -516.444008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.444008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.444008 (E_RNA)
where:
Base-Base interactions energy: -353.987
where: short stacking energy: -121.863
Base-Backbone interact. energy: -1.342
local terms energy: -161.115349
where:
bonds (distance) C4'-P energy: -36.404
bonds (distance) P-C4' energy: -34.630
flat angles C4'-P-C4' energy: -33.564
flat angles P-C4'-P energy: -16.604
tors. eta vs tors. theta energy: -39.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -510.285451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.285451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.285451 (E_RNA)
where:
Base-Base interactions energy: -323.259
where: short stacking energy: -156.651
Base-Backbone interact. energy: -0.200
local terms energy: -186.826444
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -38.134
flat angles C4'-P-C4' energy: -40.605
flat angles P-C4'-P energy: -25.930
tors. eta vs tors. theta energy: -57.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -445.125613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.125613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.125613 (E_RNA)
where:
Base-Base interactions energy: -295.920
where: short stacking energy: -123.683
Base-Backbone interact. energy: -0.887
local terms energy: -148.318178
where:
bonds (distance) C4'-P energy: -26.826
bonds (distance) P-C4' energy: -32.311
flat angles C4'-P-C4' energy: -30.628
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -38.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -369.670665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.670665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.670665 (E_RNA)
where:
Base-Base interactions energy: -222.256
where: short stacking energy: -101.865
Base-Backbone interact. energy: -0.202
local terms energy: -147.212368
where:
bonds (distance) C4'-P energy: -37.076
bonds (distance) P-C4' energy: -36.671
flat angles C4'-P-C4' energy: -32.490
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -26.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -288.464790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.464790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.464790 (E_RNA)
where:
Base-Base interactions energy: -175.785
where: short stacking energy: -79.865
Base-Backbone interact. energy: 2.305
local terms energy: -114.985223
where:
bonds (distance) C4'-P energy: -30.286
bonds (distance) P-C4' energy: -22.117
flat angles C4'-P-C4' energy: -32.744
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -15.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -162.504325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.504325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.504325 (E_RNA)
where:
Base-Base interactions energy: -49.100
where: short stacking energy: -48.503
Base-Backbone interact. energy: -0.323
local terms energy: -113.081421
where:
bonds (distance) C4'-P energy: -29.758
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -10.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -155.163665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.163665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.163665 (E_RNA)
where:
Base-Base interactions energy: -57.614
where: short stacking energy: -48.213
Base-Backbone interact. energy: -0.113
local terms energy: -97.436479
where:
bonds (distance) C4'-P energy: -27.043
bonds (distance) P-C4' energy: -32.180
flat angles C4'-P-C4' energy: -29.001
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: 6.151
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: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -150.279753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.279753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.279753 (E_RNA)
where:
Base-Base interactions energy: -43.731
where: short stacking energy: -42.002
Base-Backbone interact. energy: -0.393
local terms energy: -106.155532
where:
bonds (distance) C4'-P energy: -24.177
bonds (distance) P-C4' energy: -38.745
flat angles C4'-P-C4' energy: -29.984
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: 0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -535.428239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.428239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.428239 (E_RNA)
where:
Base-Base interactions energy: -355.200
where: short stacking energy: -161.067
Base-Backbone interact. energy: -0.365
local terms energy: -179.864206
where:
bonds (distance) C4'-P energy: -32.378
bonds (distance) P-C4' energy: -33.735
flat angles C4'-P-C4' energy: -40.925
flat angles P-C4'-P energy: -27.863
tors. eta vs tors. theta energy: -44.963
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: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -506.047769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.047769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.047769 (E_RNA)
where:
Base-Base interactions energy: -336.115
where: short stacking energy: -122.380
Base-Backbone interact. energy: -1.593
local terms energy: -168.340136
where:
bonds (distance) C4'-P energy: -33.433
bonds (distance) P-C4' energy: -34.288
flat angles C4'-P-C4' energy: -40.037
flat angles P-C4'-P energy: -24.889
tors. eta vs tors. theta energy: -35.693
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: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -478.663535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.663535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.663535 (E_RNA)
where:
Base-Base interactions energy: -292.483
where: short stacking energy: -149.497
Base-Backbone interact. energy: -0.128
local terms energy: -186.053161
where:
bonds (distance) C4'-P energy: -36.650
bonds (distance) P-C4' energy: -36.706
flat angles C4'-P-C4' energy: -36.883
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -50.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -441.988276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.988276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.988276 (E_RNA)
where:
Base-Base interactions energy: -282.766
where: short stacking energy: -130.017
Base-Backbone interact. energy: -1.326
local terms energy: -157.896936
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -26.938
flat angles C4'-P-C4' energy: -37.964
flat angles P-C4'-P energy: -24.622
tors. eta vs tors. theta energy: -41.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -478.584835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.584835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.584835 (E_RNA)
where:
Base-Base interactions energy: -315.900
where: short stacking energy: -155.345
Base-Backbone interact. energy: -0.228
local terms energy: -162.457209
where:
bonds (distance) C4'-P energy: -26.438
bonds (distance) P-C4' energy: -30.959
flat angles C4'-P-C4' energy: -40.813
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -49.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -375.015588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.015588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.015588 (E_RNA)
where:
Base-Base interactions energy: -226.309
where: short stacking energy: -114.529
Base-Backbone interact. energy: -0.317
local terms energy: -148.390273
where:
bonds (distance) C4'-P energy: -31.987
bonds (distance) P-C4' energy: -34.085
flat angles C4'-P-C4' energy: -39.008
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -26.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -294.414641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.414641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.414641 (E_RNA)
where:
Base-Base interactions energy: -163.654
where: short stacking energy: -75.087
Base-Backbone interact. energy: 0.521
local terms energy: -131.280805
where:
bonds (distance) C4'-P energy: -40.087
bonds (distance) P-C4' energy: -29.067
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -23.474
tors. eta vs tors. theta energy: -18.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -171.403215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.403215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.403215 (E_RNA)
where:
Base-Base interactions energy: -57.095
where: short stacking energy: -39.520
Base-Backbone interact. energy: 0.911
local terms energy: -115.219801
where:
bonds (distance) C4'-P energy: -35.080
bonds (distance) P-C4' energy: -39.351
flat angles C4'-P-C4' energy: -26.061
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -149.360102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.360102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.360102 (E_RNA)
where:
Base-Base interactions energy: -61.963
where: short stacking energy: -53.172
Base-Backbone interact. energy: 0.032
local terms energy: -87.428764
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -27.744
flat angles C4'-P-C4' energy: -26.371
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: 0.814
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: 10, replica: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -142.461510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.461510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.461510 (E_RNA)
where:
Base-Base interactions energy: -36.607
where: short stacking energy: -31.463
Base-Backbone interact. energy: 0.009
local terms energy: -105.864438
where:
bonds (distance) C4'-P energy: -28.399
bonds (distance) P-C4' energy: -32.711
flat angles C4'-P-C4' energy: -27.845
flat angles P-C4'-P energy: -19.505
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: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -526.575362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.575362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.575362 (E_RNA)
where:
Base-Base interactions energy: -355.792
where: short stacking energy: -157.657
Base-Backbone interact. energy: -0.582
local terms energy: -170.202018
where:
bonds (distance) C4'-P energy: -34.003
bonds (distance) P-C4' energy: -27.071
flat angles C4'-P-C4' energy: -37.809
flat angles P-C4'-P energy: -27.304
tors. eta vs tors. theta energy: -44.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -518.565354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.565354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.565354 (E_RNA)
where:
Base-Base interactions energy: -342.516
where: short stacking energy: -145.427
Base-Backbone interact. energy: 0.018
local terms energy: -176.068197
where:
bonds (distance) C4'-P energy: -29.991
bonds (distance) P-C4' energy: -37.380
flat angles C4'-P-C4' energy: -41.740
flat angles P-C4'-P energy: -23.364
tors. eta vs tors. theta energy: -43.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -468.017174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.017174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.017174 (E_RNA)
where:
Base-Base interactions energy: -299.734
where: short stacking energy: -125.435
Base-Backbone interact. energy: 0.655
local terms energy: -168.937732
where:
bonds (distance) C4'-P energy: -35.854
bonds (distance) P-C4' energy: -33.274
flat angles C4'-P-C4' energy: -36.125
flat angles P-C4'-P energy: -21.407
tors. eta vs tors. theta energy: -42.279
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: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -446.616866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.616866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.616866 (E_RNA)
where:
Base-Base interactions energy: -287.228
where: short stacking energy: -131.001
Base-Backbone interact. energy: -0.908
local terms energy: -158.481280
where:
bonds (distance) C4'-P energy: -29.264
bonds (distance) P-C4' energy: -30.525
flat angles C4'-P-C4' energy: -27.692
flat angles P-C4'-P energy: -24.711
tors. eta vs tors. theta energy: -46.289
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: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -459.513858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.513858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.513858 (E_RNA)
where:
Base-Base interactions energy: -298.347
where: short stacking energy: -142.200
Base-Backbone interact. energy: -0.038
local terms energy: -161.129278
where:
bonds (distance) C4'-P energy: -30.269
bonds (distance) P-C4' energy: -26.378
flat angles C4'-P-C4' energy: -32.509
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: -48.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -372.502347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.502347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.502347 (E_RNA)
where:
Base-Base interactions energy: -234.414
where: short stacking energy: -112.590
Base-Backbone interact. energy: 0.035
local terms energy: -138.123638
where:
bonds (distance) C4'-P energy: -23.146
bonds (distance) P-C4' energy: -26.237
flat angles C4'-P-C4' energy: -28.923
flat angles P-C4'-P energy: -24.720
tors. eta vs tors. theta energy: -35.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -291.951254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.951254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.951254 (E_RNA)
where:
Base-Base interactions energy: -166.735
where: short stacking energy: -72.475
Base-Backbone interact. energy: -0.676
local terms energy: -124.539656
where:
bonds (distance) C4'-P energy: -32.301
bonds (distance) P-C4' energy: -25.667
flat angles C4'-P-C4' energy: -32.528
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -172.572239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.572239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.572239 (E_RNA)
where:
Base-Base interactions energy: -59.018
where: short stacking energy: -56.866
Base-Backbone interact. energy: 0.152
local terms energy: -113.706381
where:
bonds (distance) C4'-P energy: -30.736
bonds (distance) P-C4' energy: -29.044
flat angles C4'-P-C4' energy: -33.541
flat angles P-C4'-P energy: -11.789
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: 9, replica: 5
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -153.531097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.531097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.531097 (E_RNA)
where:
Base-Base interactions energy: -53.254
where: short stacking energy: -47.530
Base-Backbone interact. energy: -1.186
local terms energy: -99.090482
where:
bonds (distance) C4'-P energy: -24.894
bonds (distance) P-C4' energy: -28.002
flat angles C4'-P-C4' energy: -21.965
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -7.797
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: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -149.694625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.694625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.694625 (E_RNA)
where:
Base-Base interactions energy: -65.937
where: short stacking energy: -44.031
Base-Backbone interact. energy: 1.175
local terms energy: -84.931779
where:
bonds (distance) C4'-P energy: -26.944
bonds (distance) P-C4' energy: -28.650
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: 7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -533.145665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.145665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.145665 (E_RNA)
where:
Base-Base interactions energy: -356.968
where: short stacking energy: -154.913
Base-Backbone interact. energy: -0.640
local terms energy: -175.537222
where:
bonds (distance) C4'-P energy: -34.158
bonds (distance) P-C4' energy: -34.006
flat angles C4'-P-C4' energy: -39.500
flat angles P-C4'-P energy: -24.405
tors. eta vs tors. theta energy: -43.470
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: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -524.745782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.745782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.745782 (E_RNA)
where:
Base-Base interactions energy: -344.127
where: short stacking energy: -144.949
Base-Backbone interact. energy: 0.443
local terms energy: -181.062222
where:
bonds (distance) C4'-P energy: -35.934
bonds (distance) P-C4' energy: -34.693
flat angles C4'-P-C4' energy: -37.360
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -49.239
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: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -482.987965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.987965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.987965 (E_RNA)
where:
Base-Base interactions energy: -309.223
where: short stacking energy: -141.977
Base-Backbone interact. energy: -0.315
local terms energy: -173.450202
where:
bonds (distance) C4'-P energy: -35.117
bonds (distance) P-C4' energy: -34.349
flat angles C4'-P-C4' energy: -38.707
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: -45.373
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: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -499.630189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.630189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.630189 (E_RNA)
where:
Base-Base interactions energy: -320.547
where: short stacking energy: -150.696
Base-Backbone interact. energy: -0.057
local terms energy: -179.025566
where:
bonds (distance) C4'-P energy: -37.681
bonds (distance) P-C4' energy: -33.498
flat angles C4'-P-C4' energy: -35.550
flat angles P-C4'-P energy: -21.449
tors. eta vs tors. theta energy: -50.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -441.785655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.785655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.785655 (E_RNA)
where:
Base-Base interactions energy: -287.554
where: short stacking energy: -119.365
Base-Backbone interact. energy: -1.010
local terms energy: -153.221424
where:
bonds (distance) C4'-P energy: -28.855
bonds (distance) P-C4' energy: -28.599
flat angles C4'-P-C4' energy: -33.493
flat angles P-C4'-P energy: -25.804
tors. eta vs tors. theta energy: -36.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -354.154853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.154853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.154853 (E_RNA)
where:
Base-Base interactions energy: -215.584
where: short stacking energy: -100.376
Base-Backbone interact. energy: -1.499
local terms energy: -137.071022
where:
bonds (distance) C4'-P energy: -32.948
bonds (distance) P-C4' energy: -28.396
flat angles C4'-P-C4' energy: -33.030
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -23.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -353.959063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.959063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.959063 (E_RNA)
where:
Base-Base interactions energy: -216.931
where: short stacking energy: -101.132
Base-Backbone interact. energy: -0.582
local terms energy: -136.445874
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -30.040
flat angles C4'-P-C4' energy: -36.238
flat angles P-C4'-P energy: -19.588
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -167.121559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.121559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.121559 (E_RNA)
where:
Base-Base interactions energy: -56.008
where: short stacking energy: -37.552
Base-Backbone interact. energy: -1.026
local terms energy: -110.087418
where:
bonds (distance) C4'-P energy: -28.240
bonds (distance) P-C4' energy: -34.096
flat angles C4'-P-C4' energy: -27.042
flat angles P-C4'-P energy: -19.403
tors. eta vs tors. theta energy: -1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -151.231205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.231205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.231205 (E_RNA)
where:
Base-Base interactions energy: -41.520
where: short stacking energy: -35.874
Base-Backbone interact. energy: 1.099
local terms energy: -110.809815
where:
bonds (distance) C4'-P energy: -26.923
bonds (distance) P-C4' energy: -27.740
flat angles C4'-P-C4' energy: -31.530
flat angles P-C4'-P energy: -26.075
tors. eta vs tors. theta energy: 1.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -144.543115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.543115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.543115 (E_RNA)
where:
Base-Base interactions energy: -40.296
where: short stacking energy: -35.364
Base-Backbone interact. energy: 0.434
local terms energy: -104.681078
where:
bonds (distance) C4'-P energy: -32.988
bonds (distance) P-C4' energy: -33.955
flat angles C4'-P-C4' energy: -28.366
flat angles P-C4'-P energy: -19.754
tors. eta vs tors. theta energy: 10.382
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: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -533.909745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.909745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.909745 (E_RNA)
where:
Base-Base interactions energy: -356.090
where: short stacking energy: -151.849
Base-Backbone interact. energy: -0.374
local terms energy: -177.445735
where:
bonds (distance) C4'-P energy: -35.308
bonds (distance) P-C4' energy: -35.466
flat angles C4'-P-C4' energy: -34.636
flat angles P-C4'-P energy: -29.356
tors. eta vs tors. theta energy: -42.680
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -521.647830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.647830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.647830 (E_RNA)
where:
Base-Base interactions energy: -343.707
where: short stacking energy: -146.972
Base-Backbone interact. energy: 0.318
local terms energy: -178.258764
where:
bonds (distance) C4'-P energy: -36.248
bonds (distance) P-C4' energy: -38.705
flat angles C4'-P-C4' energy: -35.892
flat angles P-C4'-P energy: -20.635
tors. eta vs tors. theta energy: -46.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -504.895220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.895220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.895220 (E_RNA)
where:
Base-Base interactions energy: -327.399
where: short stacking energy: -150.801
Base-Backbone interact. energy: -0.063
local terms energy: -177.433515
where:
bonds (distance) C4'-P energy: -26.470
bonds (distance) P-C4' energy: -36.047
flat angles C4'-P-C4' energy: -37.880
flat angles P-C4'-P energy: -27.037
tors. eta vs tors. theta energy: -50.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -473.809086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.809086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.809086 (E_RNA)
where:
Base-Base interactions energy: -310.893
where: short stacking energy: -136.663
Base-Backbone interact. energy: 0.542
local terms energy: -163.458370
where:
bonds (distance) C4'-P energy: -30.358
bonds (distance) P-C4' energy: -33.234
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -25.357
tors. eta vs tors. theta energy: -41.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -460.396919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.396919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.396919 (E_RNA)
where:
Base-Base interactions energy: -285.280
where: short stacking energy: -137.613
Base-Backbone interact. energy: -1.178
local terms energy: -173.938848
where:
bonds (distance) C4'-P energy: -29.268
bonds (distance) P-C4' energy: -36.313
flat angles C4'-P-C4' energy: -38.628
flat angles P-C4'-P energy: -29.113
tors. eta vs tors. theta energy: -40.618
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: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -368.603654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.603654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.603654 (E_RNA)
where:
Base-Base interactions energy: -240.492
where: short stacking energy: -99.997
Base-Backbone interact. energy: -0.659
local terms energy: -127.452092
where:
bonds (distance) C4'-P energy: -30.101
bonds (distance) P-C4' energy: -32.131
flat angles C4'-P-C4' energy: -28.258
flat angles P-C4'-P energy: -19.144
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -330.161615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.161615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.161615 (E_RNA)
where:
Base-Base interactions energy: -207.908
where: short stacking energy: -88.269
Base-Backbone interact. energy: -1.278
local terms energy: -120.975413
where:
bonds (distance) C4'-P energy: -29.344
bonds (distance) P-C4' energy: -31.062
flat angles C4'-P-C4' energy: -31.207
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -169.637163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.637163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.637163 (E_RNA)
where:
Base-Base interactions energy: -65.539
where: short stacking energy: -63.896
Base-Backbone interact. energy: 0.741
local terms energy: -104.839439
where:
bonds (distance) C4'-P energy: -31.917
bonds (distance) P-C4' energy: -32.952
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -18.970
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -162.215270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.215270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.215270 (E_RNA)
where:
Base-Base interactions energy: -67.810
where: short stacking energy: -35.544
Base-Backbone interact. energy: 0.623
local terms energy: -95.028340
where:
bonds (distance) C4'-P energy: -29.449
bonds (distance) P-C4' energy: -37.708
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -21.418
tors. eta vs tors. theta energy: 7.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -160.347505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.347505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.347505 (E_RNA)
where:
Base-Base interactions energy: -52.542
where: short stacking energy: -47.186
Base-Backbone interact. energy: -0.674
local terms energy: -107.131791
where:
bonds (distance) C4'-P energy: -36.082
bonds (distance) P-C4' energy: -34.436
flat angles C4'-P-C4' energy: -27.008
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: 1.742
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: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -520.958987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.958987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.958987 (E_RNA)
where:
Base-Base interactions energy: -345.986
where: short stacking energy: -142.649
Base-Backbone interact. energy: 1.580
local terms energy: -176.553457
where:
bonds (distance) C4'-P energy: -39.178
bonds (distance) P-C4' energy: -37.931
flat angles C4'-P-C4' energy: -35.211
flat angles P-C4'-P energy: -22.288
tors. eta vs tors. theta energy: -41.946
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: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -502.688868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.688868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.688868 (E_RNA)
where:
Base-Base interactions energy: -342.399
where: short stacking energy: -139.637
Base-Backbone interact. energy: -1.320
local terms energy: -158.969411
where:
bonds (distance) C4'-P energy: -25.834
bonds (distance) P-C4' energy: -36.028
flat angles C4'-P-C4' energy: -32.527
flat angles P-C4'-P energy: -24.149
tors. eta vs tors. theta energy: -40.431
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: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -491.849445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.849445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.849445 (E_RNA)
where:
Base-Base interactions energy: -323.168
where: short stacking energy: -132.101
Base-Backbone interact. energy: -0.312
local terms energy: -168.369883
where:
bonds (distance) C4'-P energy: -36.784
bonds (distance) P-C4' energy: -34.097
flat angles C4'-P-C4' energy: -35.945
flat angles P-C4'-P energy: -25.773
tors. eta vs tors. theta energy: -35.771
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: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -456.809903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.809903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.809903 (E_RNA)
where:
Base-Base interactions energy: -297.127
where: short stacking energy: -134.509
Base-Backbone interact. energy: -0.803
local terms energy: -158.879810
where:
bonds (distance) C4'-P energy: -26.086
bonds (distance) P-C4' energy: -30.166
flat angles C4'-P-C4' energy: -37.293
flat angles P-C4'-P energy: -24.548
tors. eta vs tors. theta energy: -40.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -452.532324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.532324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.532324 (E_RNA)
where:
Base-Base interactions energy: -292.688
where: short stacking energy: -118.491
Base-Backbone interact. energy: -0.528
local terms energy: -159.315706
where:
bonds (distance) C4'-P energy: -37.610
bonds (distance) P-C4' energy: -26.651
flat angles C4'-P-C4' energy: -27.054
flat angles P-C4'-P energy: -24.398
tors. eta vs tors. theta energy: -43.603
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: 365
Temperature: 1.150000
Total energy: -325.175399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.175399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.175399 (E_RNA)
where:
Base-Base interactions energy: -195.037
where: short stacking energy: -85.426
Base-Backbone interact. energy: -1.174
local terms energy: -128.964011
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -36.761
flat angles C4'-P-C4' energy: -30.703
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -348.462589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.462589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.462589 (E_RNA)
where:
Base-Base interactions energy: -214.682
where: short stacking energy: -102.378
Base-Backbone interact. energy: -0.381
local terms energy: -133.399108
where:
bonds (distance) C4'-P energy: -28.117
bonds (distance) P-C4' energy: -30.511
flat angles C4'-P-C4' energy: -31.281
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -27.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -164.876436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.876436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.876436 (E_RNA)
where:
Base-Base interactions energy: -56.958
where: short stacking energy: -40.096
Base-Backbone interact. energy: 1.602
local terms energy: -109.520265
where:
bonds (distance) C4'-P energy: -36.733
bonds (distance) P-C4' energy: -34.052
flat angles C4'-P-C4' energy: -24.846
flat angles P-C4'-P energy: -21.106
tors. eta vs tors. theta energy: 7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -153.132213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.132213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.132213 (E_RNA)
where:
Base-Base interactions energy: -49.795
where: short stacking energy: -30.285
Base-Backbone interact. energy: 0.162
local terms energy: -103.499297
where:
bonds (distance) C4'-P energy: -29.268
bonds (distance) P-C4' energy: -34.341
flat angles C4'-P-C4' energy: -32.447
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: 6.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -148.374157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.374157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.374157 (E_RNA)
where:
Base-Base interactions energy: -47.049
where: short stacking energy: -45.592
Base-Backbone interact. energy: -0.521
local terms energy: -100.804145
where:
bonds (distance) C4'-P energy: -28.395
bonds (distance) P-C4' energy: -36.285
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -533.466781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.466781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.466781 (E_RNA)
where:
Base-Base interactions energy: -356.133
where: short stacking energy: -150.941
Base-Backbone interact. energy: -0.670
local terms energy: -176.663665
where:
bonds (distance) C4'-P energy: -39.183
bonds (distance) P-C4' energy: -34.466
flat angles C4'-P-C4' energy: -36.750
flat angles P-C4'-P energy: -25.364
tors. eta vs tors. theta energy: -40.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -500.549704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.549704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.549704 (E_RNA)
where:
Base-Base interactions energy: -339.129
where: short stacking energy: -129.297
Base-Backbone interact. energy: -0.336
local terms energy: -161.085150
where:
bonds (distance) C4'-P energy: -35.791
bonds (distance) P-C4' energy: -28.301
flat angles C4'-P-C4' energy: -31.733
flat angles P-C4'-P energy: -24.900
tors. eta vs tors. theta energy: -40.360
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: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -504.642473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.642473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.642473 (E_RNA)
where:
Base-Base interactions energy: -333.766
where: short stacking energy: -138.004
Base-Backbone interact. energy: -0.569
local terms energy: -170.307262
where:
bonds (distance) C4'-P energy: -27.577
bonds (distance) P-C4' energy: -33.368
flat angles C4'-P-C4' energy: -37.011
flat angles P-C4'-P energy: -27.795
tors. eta vs tors. theta energy: -44.557
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: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -447.876283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.876283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.876283 (E_RNA)
where:
Base-Base interactions energy: -289.615
where: short stacking energy: -127.243
Base-Backbone interact. energy: -1.075
local terms energy: -157.186650
where:
bonds (distance) C4'-P energy: -35.740
bonds (distance) P-C4' energy: -30.179
flat angles C4'-P-C4' energy: -34.792
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -40.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -438.749203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.749203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.749203 (E_RNA)
where:
Base-Base interactions energy: -291.464
where: short stacking energy: -114.167
Base-Backbone interact. energy: -0.570
local terms energy: -146.715561
where:
bonds (distance) C4'-P energy: -24.977
bonds (distance) P-C4' energy: -30.039
flat angles C4'-P-C4' energy: -36.782
flat angles P-C4'-P energy: -20.121
tors. eta vs tors. theta energy: -34.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -355.599627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.599627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.599627 (E_RNA)
where:
Base-Base interactions energy: -221.502
where: short stacking energy: -97.068
Base-Backbone interact. energy: -0.751
local terms energy: -133.346782
where:
bonds (distance) C4'-P energy: -33.064
bonds (distance) P-C4' energy: -28.471
flat angles C4'-P-C4' energy: -28.257
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -21.913
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: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -339.403746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.403746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.403746 (E_RNA)
where:
Base-Base interactions energy: -204.606
where: short stacking energy: -95.014
Base-Backbone interact. energy: 0.109
local terms energy: -134.907389
where:
bonds (distance) C4'-P energy: -29.791
bonds (distance) P-C4' energy: -30.722
flat angles C4'-P-C4' energy: -26.488
flat angles P-C4'-P energy: -19.684
tors. eta vs tors. theta energy: -28.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -182.201180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.201180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.201180 (E_RNA)
where:
Base-Base interactions energy: -80.644
where: short stacking energy: -50.783
Base-Backbone interact. energy: 0.151
local terms energy: -101.707999
where:
bonds (distance) C4'-P energy: -28.725
bonds (distance) P-C4' energy: -31.602
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -4.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -163.956750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.956750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.956750 (E_RNA)
where:
Base-Base interactions energy: -50.994
where: short stacking energy: -47.855
Base-Backbone interact. energy: -1.614
local terms energy: -111.349361
where:
bonds (distance) C4'-P energy: -36.442
bonds (distance) P-C4' energy: -33.599
flat angles C4'-P-C4' energy: -27.014
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: 3.007
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: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -146.427451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.427451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.427451 (E_RNA)
where:
Base-Base interactions energy: -41.890
where: short stacking energy: -43.390
Base-Backbone interact. energy: -0.986
local terms energy: -103.550553
where:
bonds (distance) C4'-P energy: -27.313
bonds (distance) P-C4' energy: -29.232
flat angles C4'-P-C4' energy: -30.632
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -542.315937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.315937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.315937 (E_RNA)
where:
Base-Base interactions energy: -374.943
where: short stacking energy: -164.359
Base-Backbone interact. energy: 0.283
local terms energy: -167.655702
where:
bonds (distance) C4'-P energy: -31.148
bonds (distance) P-C4' energy: -28.749
flat angles C4'-P-C4' energy: -38.336
flat angles P-C4'-P energy: -24.639
tors. eta vs tors. theta energy: -44.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -522.936946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.936946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.936946 (E_RNA)
where:
Base-Base interactions energy: -336.808
where: short stacking energy: -141.895
Base-Backbone interact. energy: 0.669
local terms energy: -186.798286
where:
bonds (distance) C4'-P energy: -33.971
bonds (distance) P-C4' energy: -39.749
flat angles C4'-P-C4' energy: -35.485
flat angles P-C4'-P energy: -26.358
tors. eta vs tors. theta energy: -51.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -484.063976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.063976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.063976 (E_RNA)
where:
Base-Base interactions energy: -318.489
where: short stacking energy: -128.164
Base-Backbone interact. energy: -0.648
local terms energy: -164.926953
where:
bonds (distance) C4'-P energy: -37.753
bonds (distance) P-C4' energy: -33.273
flat angles C4'-P-C4' energy: -36.342
flat angles P-C4'-P energy: -19.390
tors. eta vs tors. theta energy: -38.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -456.285321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.285321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.285321 (E_RNA)
where:
Base-Base interactions energy: -293.119
where: short stacking energy: -122.750
Base-Backbone interact. energy: -0.929
local terms energy: -162.237205
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -30.770
flat angles C4'-P-C4' energy: -36.917
flat angles P-C4'-P energy: -25.034
tors. eta vs tors. theta energy: -43.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -457.010238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.010238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.010238 (E_RNA)
where:
Base-Base interactions energy: -302.968
where: short stacking energy: -133.303
Base-Backbone interact. energy: 3.565
local terms energy: -157.607279
where:
bonds (distance) C4'-P energy: -26.511
bonds (distance) P-C4' energy: -31.316
flat angles C4'-P-C4' energy: -31.910
flat angles P-C4'-P energy: -26.177
tors. eta vs tors. theta energy: -41.693
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: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -356.576487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.576487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.576487 (E_RNA)
where:
Base-Base interactions energy: -225.443
where: short stacking energy: -106.695
Base-Backbone interact. energy: -0.894
local terms energy: -130.238927
where:
bonds (distance) C4'-P energy: -26.458
bonds (distance) P-C4' energy: -33.611
flat angles C4'-P-C4' energy: -25.037
flat angles P-C4'-P energy: -18.514
tors. eta vs tors. theta energy: -26.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -355.614492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.614492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.614492 (E_RNA)
where:
Base-Base interactions energy: -204.457
where: short stacking energy: -100.111
Base-Backbone interact. energy: -0.323
local terms energy: -150.835024
where:
bonds (distance) C4'-P energy: -30.488
bonds (distance) P-C4' energy: -32.798
flat angles C4'-P-C4' energy: -33.647
flat angles P-C4'-P energy: -23.744
tors. eta vs tors. theta energy: -30.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -162.723726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.723726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.723726 (E_RNA)
where:
Base-Base interactions energy: -55.761
where: short stacking energy: -43.821
Base-Backbone interact. energy: -0.702
local terms energy: -106.260462
where:
bonds (distance) C4'-P energy: -27.408
bonds (distance) P-C4' energy: -31.738
flat angles C4'-P-C4' energy: -24.194
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -1.833
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: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -198.330846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.330846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.330846 (E_RNA)
where:
Base-Base interactions energy: -81.712
where: short stacking energy: -45.492
Base-Backbone interact. energy: -1.065
local terms energy: -115.553974
where:
bonds (distance) C4'-P energy: -35.095
bonds (distance) P-C4' energy: -30.743
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -6.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -141.671826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.671826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.671826 (E_RNA)
where:
Base-Base interactions energy: -37.724
where: short stacking energy: -37.057
Base-Backbone interact. energy: -0.431
local terms energy: -103.516873
where:
bonds (distance) C4'-P energy: -28.844
bonds (distance) P-C4' energy: -27.199
flat angles C4'-P-C4' energy: -34.068
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: 4.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -523.201189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.201189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.201189 (E_RNA)
where:
Base-Base interactions energy: -348.860
where: short stacking energy: -147.328
Base-Backbone interact. energy: -0.798
local terms energy: -173.543895
where:
bonds (distance) C4'-P energy: -38.448
bonds (distance) P-C4' energy: -36.260
flat angles C4'-P-C4' energy: -25.699
flat angles P-C4'-P energy: -24.048
tors. eta vs tors. theta energy: -49.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -521.832793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.832793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.832793 (E_RNA)
where:
Base-Base interactions energy: -345.387
where: short stacking energy: -151.925
Base-Backbone interact. energy: -0.475
local terms energy: -175.970604
where:
bonds (distance) C4'-P energy: -32.493
bonds (distance) P-C4' energy: -35.335
flat angles C4'-P-C4' energy: -35.792
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: -50.860
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: 6
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -475.017381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.017381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.017381 (E_RNA)
where:
Base-Base interactions energy: -313.187
where: short stacking energy: -146.685
Base-Backbone interact. energy: 0.185
local terms energy: -162.014724
where:
bonds (distance) C4'-P energy: -34.339
bonds (distance) P-C4' energy: -28.731
flat angles C4'-P-C4' energy: -32.691
flat angles P-C4'-P energy: -23.272
tors. eta vs tors. theta energy: -42.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -456.395697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.395697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.395697 (E_RNA)
where:
Base-Base interactions energy: -299.118
where: short stacking energy: -124.974
Base-Backbone interact. energy: -0.242
local terms energy: -157.035799
where:
bonds (distance) C4'-P energy: -36.353
bonds (distance) P-C4' energy: -26.860
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: -44.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -441.952350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.952350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.952350 (E_RNA)
where:
Base-Base interactions energy: -283.065
where: short stacking energy: -136.219
Base-Backbone interact. energy: -0.464
local terms energy: -158.423369
where:
bonds (distance) C4'-P energy: -24.451
bonds (distance) P-C4' energy: -29.988
flat angles C4'-P-C4' energy: -31.600
flat angles P-C4'-P energy: -26.134
tors. eta vs tors. theta energy: -46.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -353.903219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.903219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.903219 (E_RNA)
where:
Base-Base interactions energy: -226.655
where: short stacking energy: -93.986
Base-Backbone interact. energy: -2.407
local terms energy: -124.841631
where:
bonds (distance) C4'-P energy: -30.383
bonds (distance) P-C4' energy: -29.041
flat angles C4'-P-C4' energy: -27.523
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -345.097601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.097601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.097601 (E_RNA)
where:
Base-Base interactions energy: -209.498
where: short stacking energy: -98.534
Base-Backbone interact. energy: 2.126
local terms energy: -137.725960
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -36.070
flat angles C4'-P-C4' energy: -30.270
flat angles P-C4'-P energy: -21.327
tors. eta vs tors. theta energy: -25.090
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: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -165.214766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.214766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.214766 (E_RNA)
where:
Base-Base interactions energy: -49.751
where: short stacking energy: -39.931
Base-Backbone interact. energy: -0.058
local terms energy: -115.405205
where:
bonds (distance) C4'-P energy: -37.792
bonds (distance) P-C4' energy: -32.830
flat angles C4'-P-C4' energy: -28.555
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -182.225580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.225580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.225580 (E_RNA)
where:
Base-Base interactions energy: -83.706
where: short stacking energy: -40.283
Base-Backbone interact. energy: -0.471
local terms energy: -98.049424
where:
bonds (distance) C4'-P energy: -27.007
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -30.406
flat angles P-C4'-P energy: -22.440
tors. eta vs tors. theta energy: 3.835
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: 5
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -152.053136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.053136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.053136 (E_RNA)
where:
Base-Base interactions energy: -54.223
where: short stacking energy: -46.442
Base-Backbone interact. energy: 1.917
local terms energy: -99.746997
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -28.462
flat angles C4'-P-C4' energy: -26.627
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -3.537
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: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -528.010743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.010743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.010743 (E_RNA)
where:
Base-Base interactions energy: -350.523
where: short stacking energy: -159.032
Base-Backbone interact. energy: -0.126
local terms energy: -177.361590
where:
bonds (distance) C4'-P energy: -32.157
bonds (distance) P-C4' energy: -35.008
flat angles C4'-P-C4' energy: -31.069
flat angles P-C4'-P energy: -27.116
tors. eta vs tors. theta energy: -52.012
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: 369
Temperature: 0.950000
Total energy: -533.788427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.788427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.788427 (E_RNA)
where:
Base-Base interactions energy: -351.398
where: short stacking energy: -158.025
Base-Backbone interact. energy: -0.335
local terms energy: -182.054634
where:
bonds (distance) C4'-P energy: -31.776
bonds (distance) P-C4' energy: -38.466
flat angles C4'-P-C4' energy: -37.269
flat angles P-C4'-P energy: -25.568
tors. eta vs tors. theta energy: -48.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -480.276936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.276936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.276936 (E_RNA)
where:
Base-Base interactions energy: -316.247
where: short stacking energy: -135.728
Base-Backbone interact. energy: -0.234
local terms energy: -163.795564
where:
bonds (distance) C4'-P energy: -31.492
bonds (distance) P-C4' energy: -30.719
flat angles C4'-P-C4' energy: -37.084
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -44.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -458.273151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.273151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.273151 (E_RNA)
where:
Base-Base interactions energy: -301.653
where: short stacking energy: -122.122
Base-Backbone interact. energy: -0.049
local terms energy: -156.571088
where:
bonds (distance) C4'-P energy: -34.525
bonds (distance) P-C4' energy: -29.187
flat angles C4'-P-C4' energy: -36.085
flat angles P-C4'-P energy: -28.008
tors. eta vs tors. theta energy: -28.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -433.529657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.529657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.529657 (E_RNA)
where:
Base-Base interactions energy: -278.648
where: short stacking energy: -120.492
Base-Backbone interact. energy: -0.524
local terms energy: -154.357930
where:
bonds (distance) C4'-P energy: -31.234
bonds (distance) P-C4' energy: -33.483
flat angles C4'-P-C4' energy: -35.415
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: -34.119
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: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -378.559704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.559704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.559704 (E_RNA)
where:
Base-Base interactions energy: -245.262
where: short stacking energy: -116.406
Base-Backbone interact. energy: -0.543
local terms energy: -132.754250
where:
bonds (distance) C4'-P energy: -30.985
bonds (distance) P-C4' energy: -28.310
flat angles C4'-P-C4' energy: -30.204
flat angles P-C4'-P energy: -20.069
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: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -316.456851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.456851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.456851 (E_RNA)
where:
Base-Base interactions energy: -179.415
where: short stacking energy: -78.329
Base-Backbone interact. energy: 0.192
local terms energy: -137.233690
where:
bonds (distance) C4'-P energy: -29.345
bonds (distance) P-C4' energy: -32.232
flat angles C4'-P-C4' energy: -33.657
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: -22.828
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: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -186.829899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.829899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.829899 (E_RNA)
where:
Base-Base interactions energy: -68.842
where: short stacking energy: -48.814
Base-Backbone interact. energy: -0.551
local terms energy: -117.436511
where:
bonds (distance) C4'-P energy: -37.865
bonds (distance) P-C4' energy: -30.393
flat angles C4'-P-C4' energy: -31.479
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -154.329933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.329933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.329933 (E_RNA)
where:
Base-Base interactions energy: -57.222
where: short stacking energy: -40.925
Base-Backbone interact. energy: -0.361
local terms energy: -96.747124
where:
bonds (distance) C4'-P energy: -26.670
bonds (distance) P-C4' energy: -33.261
flat angles C4'-P-C4' energy: -25.157
flat angles P-C4'-P energy: -13.047
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: 5
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -145.971267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.971267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.971267 (E_RNA)
where:
Base-Base interactions energy: -46.370
where: short stacking energy: -41.280
Base-Backbone interact. energy: -0.543
local terms energy: -99.058306
where:
bonds (distance) C4'-P energy: -35.625
bonds (distance) P-C4' energy: -27.351
flat angles C4'-P-C4' energy: -25.685
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: 2.217
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: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -546.942422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.942422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.942422 (E_RNA)
where:
Base-Base interactions energy: -365.103
where: short stacking energy: -166.338
Base-Backbone interact. energy: 1.147
local terms energy: -182.986445
where:
bonds (distance) C4'-P energy: -36.593
bonds (distance) P-C4' energy: -27.912
flat angles C4'-P-C4' energy: -36.197
flat angles P-C4'-P energy: -31.773
tors. eta vs tors. theta energy: -50.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -518.935819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.935819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.935819 (E_RNA)
where:
Base-Base interactions energy: -346.316
where: short stacking energy: -157.672
Base-Backbone interact. energy: -0.301
local terms energy: -172.318717
where:
bonds (distance) C4'-P energy: -29.608
bonds (distance) P-C4' energy: -31.442
flat angles C4'-P-C4' energy: -37.334
flat angles P-C4'-P energy: -22.048
tors. eta vs tors. theta energy: -51.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -494.172368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.172368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.172368 (E_RNA)
where:
Base-Base interactions energy: -310.169
where: short stacking energy: -154.555
Base-Backbone interact. energy: -0.580
local terms energy: -183.424013
where:
bonds (distance) C4'-P energy: -35.560
bonds (distance) P-C4' energy: -34.000
flat angles C4'-P-C4' energy: -39.436
flat angles P-C4'-P energy: -26.271
tors. eta vs tors. theta energy: -48.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -486.413552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.413552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.413552 (E_RNA)
where:
Base-Base interactions energy: -334.354
where: short stacking energy: -141.041
Base-Backbone interact. energy: -0.997
local terms energy: -151.062050
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -34.104
flat angles P-C4'-P energy: -23.622
tors. eta vs tors. theta energy: -44.560
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: 370
Temperature: 1.100000
Total energy: -418.875183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.875183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.875183 (E_RNA)
where:
Base-Base interactions energy: -256.809
where: short stacking energy: -124.328
Base-Backbone interact. energy: -0.201
local terms energy: -161.865035
where:
bonds (distance) C4'-P energy: -29.085
bonds (distance) P-C4' energy: -36.403
flat angles C4'-P-C4' energy: -32.270
flat angles P-C4'-P energy: -27.597
tors. eta vs tors. theta energy: -36.509
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: 370
Temperature: 1.150000
Total energy: -403.352914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.352914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.352914 (E_RNA)
where:
Base-Base interactions energy: -249.308
where: short stacking energy: -109.082
Base-Backbone interact. energy: 0.830
local terms energy: -154.874668
where:
bonds (distance) C4'-P energy: -30.396
bonds (distance) P-C4' energy: -41.258
flat angles C4'-P-C4' energy: -35.600
flat angles P-C4'-P energy: -23.468
tors. eta vs tors. theta energy: -24.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -316.176236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.176236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.176236 (E_RNA)
where:
Base-Base interactions energy: -192.553
where: short stacking energy: -79.353
Base-Backbone interact. energy: 0.588
local terms energy: -124.211355
where:
bonds (distance) C4'-P energy: -29.458
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -31.003
flat angles P-C4'-P energy: -18.558
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -168.332167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.332167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.332167 (E_RNA)
where:
Base-Base interactions energy: -63.305
where: short stacking energy: -51.365
Base-Backbone interact. energy: -0.367
local terms energy: -104.660121
where:
bonds (distance) C4'-P energy: -30.046
bonds (distance) P-C4' energy: -28.417
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -155.240774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.240774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.240774 (E_RNA)
where:
Base-Base interactions energy: -56.608
where: short stacking energy: -45.458
Base-Backbone interact. energy: 1.804
local terms energy: -100.436214
where:
bonds (distance) C4'-P energy: -32.256
bonds (distance) P-C4' energy: -34.163
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: 0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -150.793181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.793181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.793181 (E_RNA)
where:
Base-Base interactions energy: -52.024
where: short stacking energy: -34.407
Base-Backbone interact. energy: -0.331
local terms energy: -98.438399
where:
bonds (distance) C4'-P energy: -36.258
bonds (distance) P-C4' energy: -31.417
flat angles C4'-P-C4' energy: -27.230
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: 9.462
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: 1, replica: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -526.862103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.862103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.862103 (E_RNA)
where:
Base-Base interactions energy: -349.467
where: short stacking energy: -143.453
Base-Backbone interact. energy: -0.393
local terms energy: -177.001451
where:
bonds (distance) C4'-P energy: -36.363
bonds (distance) P-C4' energy: -36.525
flat angles C4'-P-C4' energy: -37.132
flat angles P-C4'-P energy: -25.464
tors. eta vs tors. theta energy: -41.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -522.429825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.429825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.429825 (E_RNA)
where:
Base-Base interactions energy: -343.843
where: short stacking energy: -158.915
Base-Backbone interact. energy: 0.227
local terms energy: -178.813696
where:
bonds (distance) C4'-P energy: -30.065
bonds (distance) P-C4' energy: -36.199
flat angles C4'-P-C4' energy: -37.512
flat angles P-C4'-P energy: -21.301
tors. eta vs tors. theta energy: -53.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -482.661275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.661275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.661275 (E_RNA)
where:
Base-Base interactions energy: -323.183
where: short stacking energy: -129.613
Base-Backbone interact. energy: -0.688
local terms energy: -158.789718
where:
bonds (distance) C4'-P energy: -30.801
bonds (distance) P-C4' energy: -29.870
flat angles C4'-P-C4' energy: -36.272
flat angles P-C4'-P energy: -20.493
tors. eta vs tors. theta energy: -41.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -462.339567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.339567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.339567 (E_RNA)
where:
Base-Base interactions energy: -321.509
where: short stacking energy: -120.031
Base-Backbone interact. energy: -1.013
local terms energy: -139.817967
where:
bonds (distance) C4'-P energy: -29.834
bonds (distance) P-C4' energy: -36.771
flat angles C4'-P-C4' energy: -20.919
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: -31.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -427.016175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.016175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.016175 (E_RNA)
where:
Base-Base interactions energy: -273.577
where: short stacking energy: -126.261
Base-Backbone interact. energy: 0.085
local terms energy: -153.524607
where:
bonds (distance) C4'-P energy: -28.751
bonds (distance) P-C4' energy: -28.273
flat angles C4'-P-C4' energy: -36.983
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -39.141
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: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -402.466501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.466501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.466501 (E_RNA)
where:
Base-Base interactions energy: -256.634
where: short stacking energy: -109.046
Base-Backbone interact. energy: -1.738
local terms energy: -144.094193
where:
bonds (distance) C4'-P energy: -35.752
bonds (distance) P-C4' energy: -29.454
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -27.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -325.016298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.016298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.016298 (E_RNA)
where:
Base-Base interactions energy: -182.488
where: short stacking energy: -97.322
Base-Backbone interact. energy: 0.030
local terms energy: -142.558410
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -37.082
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -27.815
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: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -171.961097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.961097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.961097 (E_RNA)
where:
Base-Base interactions energy: -59.148
where: short stacking energy: -51.594
Base-Backbone interact. energy: -0.795
local terms energy: -112.017893
where:
bonds (distance) C4'-P energy: -27.742
bonds (distance) P-C4' energy: -37.196
flat angles C4'-P-C4' energy: -28.568
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -9.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -158.306818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.306818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.306818 (E_RNA)
where:
Base-Base interactions energy: -58.727
where: short stacking energy: -34.904
Base-Backbone interact. energy: -0.919
local terms energy: -98.661002
where:
bonds (distance) C4'-P energy: -27.596
bonds (distance) P-C4' energy: -30.012
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -19.206
tors. eta vs tors. theta energy: -3.088
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: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -152.951906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.951906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.951906 (E_RNA)
where:
Base-Base interactions energy: -55.235
where: short stacking energy: -43.369
Base-Backbone interact. energy: 1.173
local terms energy: -98.889612
where:
bonds (distance) C4'-P energy: -30.436
bonds (distance) P-C4' energy: -36.785
flat angles C4'-P-C4' energy: -27.659
flat angles P-C4'-P energy: -3.653
tors. eta vs tors. theta energy: -0.356
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: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -526.272870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.272870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.272870 (E_RNA)
where:
Base-Base interactions energy: -345.946
where: short stacking energy: -147.892
Base-Backbone interact. energy: -0.899
local terms energy: -179.427906
where:
bonds (distance) C4'-P energy: -34.160
bonds (distance) P-C4' energy: -32.079
flat angles C4'-P-C4' energy: -38.856
flat angles P-C4'-P energy: -29.317
tors. eta vs tors. theta energy: -45.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -516.048731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.048731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.048731 (E_RNA)
where:
Base-Base interactions energy: -345.224
where: short stacking energy: -138.115
Base-Backbone interact. energy: -1.529
local terms energy: -169.295854
where:
bonds (distance) C4'-P energy: -33.886
bonds (distance) P-C4' energy: -38.136
flat angles C4'-P-C4' energy: -34.893
flat angles P-C4'-P energy: -18.282
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: 3, replica: 6
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -498.784744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.784744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.784744 (E_RNA)
where:
Base-Base interactions energy: -334.131
where: short stacking energy: -150.147
Base-Backbone interact. energy: -0.517
local terms energy: -164.137197
where:
bonds (distance) C4'-P energy: -30.845
bonds (distance) P-C4' energy: -34.630
flat angles C4'-P-C4' energy: -30.907
flat angles P-C4'-P energy: -23.207
tors. eta vs tors. theta energy: -44.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -477.134261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.134261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.134261 (E_RNA)
where:
Base-Base interactions energy: -323.314
where: short stacking energy: -120.729
Base-Backbone interact. energy: 0.130
local terms energy: -153.949760
where:
bonds (distance) C4'-P energy: -30.945
bonds (distance) P-C4' energy: -30.710
flat angles C4'-P-C4' energy: -32.541
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -40.945
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: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -408.859520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.859520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.859520 (E_RNA)
where:
Base-Base interactions energy: -250.951
where: short stacking energy: -113.643
Base-Backbone interact. energy: -0.858
local terms energy: -157.049891
where:
bonds (distance) C4'-P energy: -35.163
bonds (distance) P-C4' energy: -32.775
flat angles C4'-P-C4' energy: -37.442
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -34.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -417.391390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.391390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.391390 (E_RNA)
where:
Base-Base interactions energy: -269.921
where: short stacking energy: -136.817
Base-Backbone interact. energy: -0.347
local terms energy: -147.123499
where:
bonds (distance) C4'-P energy: -24.517
bonds (distance) P-C4' energy: -30.073
flat angles C4'-P-C4' energy: -23.091
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: -42.861
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: 7
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -298.505514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.505514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.505514 (E_RNA)
where:
Base-Base interactions energy: -170.262
where: short stacking energy: -90.846
Base-Backbone interact. energy: 1.534
local terms energy: -129.778152
where:
bonds (distance) C4'-P energy: -24.697
bonds (distance) P-C4' energy: -34.483
flat angles C4'-P-C4' energy: -29.871
flat angles P-C4'-P energy: -25.694
tors. eta vs tors. theta energy: -15.034
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: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -183.665895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.665895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.665895 (E_RNA)
where:
Base-Base interactions energy: -65.687
where: short stacking energy: -36.884
Base-Backbone interact. energy: -0.398
local terms energy: -117.581333
where:
bonds (distance) C4'-P energy: -37.601
bonds (distance) P-C4' energy: -29.149
flat angles C4'-P-C4' energy: -31.322
flat angles P-C4'-P energy: -17.774
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -165.593766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.593766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.593766 (E_RNA)
where:
Base-Base interactions energy: -53.121
where: short stacking energy: -39.981
Base-Backbone interact. energy: 0.501
local terms energy: -112.974302
where:
bonds (distance) C4'-P energy: -32.053
bonds (distance) P-C4' energy: -35.920
flat angles C4'-P-C4' energy: -26.947
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -147.609771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.609771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.609771 (E_RNA)
where:
Base-Base interactions energy: -51.422
where: short stacking energy: -39.652
Base-Backbone interact. energy: -0.821
local terms energy: -95.366765
where:
bonds (distance) C4'-P energy: -37.013
bonds (distance) P-C4' energy: -21.546
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -17.332
tors. eta vs tors. theta energy: 5.202
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: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -524.937976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.937976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.937976 (E_RNA)
where:
Base-Base interactions energy: -340.230
where: short stacking energy: -153.510
Base-Backbone interact. energy: -1.238
local terms energy: -183.470122
where:
bonds (distance) C4'-P energy: -33.146
bonds (distance) P-C4' energy: -32.873
flat angles C4'-P-C4' energy: -42.326
flat angles P-C4'-P energy: -27.464
tors. eta vs tors. theta energy: -47.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -518.336439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.336439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.336439 (E_RNA)
where:
Base-Base interactions energy: -343.895
where: short stacking energy: -147.098
Base-Backbone interact. energy: -0.782
local terms energy: -173.659775
where:
bonds (distance) C4'-P energy: -31.061
bonds (distance) P-C4' energy: -34.921
flat angles C4'-P-C4' energy: -26.688
flat angles P-C4'-P energy: -32.560
tors. eta vs tors. theta energy: -48.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -509.890223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.890223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.890223 (E_RNA)
where:
Base-Base interactions energy: -334.898
where: short stacking energy: -163.085
Base-Backbone interact. energy: -0.032
local terms energy: -174.960742
where:
bonds (distance) C4'-P energy: -33.121
bonds (distance) P-C4' energy: -30.903
flat angles C4'-P-C4' energy: -37.382
flat angles P-C4'-P energy: -21.408
tors. eta vs tors. theta energy: -52.146
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: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -478.494218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.494218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.494218 (E_RNA)
where:
Base-Base interactions energy: -317.938
where: short stacking energy: -112.191
Base-Backbone interact. energy: 0.906
local terms energy: -161.462453
where:
bonds (distance) C4'-P energy: -27.533
bonds (distance) P-C4' energy: -36.005
flat angles C4'-P-C4' energy: -36.698
flat angles P-C4'-P energy: -27.599
tors. eta vs tors. theta energy: -33.628
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: 373
Temperature: 1.100000
Total energy: -413.002493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.002493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.002493 (E_RNA)
where:
Base-Base interactions energy: -258.280
where: short stacking energy: -113.913
Base-Backbone interact. energy: 0.328
local terms energy: -155.050461
where:
bonds (distance) C4'-P energy: -31.222
bonds (distance) P-C4' energy: -37.847
flat angles C4'-P-C4' energy: -32.649
flat angles P-C4'-P energy: -19.784
tors. eta vs tors. theta energy: -33.549
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: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -410.885765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.885765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.885765 (E_RNA)
where:
Base-Base interactions energy: -263.306
where: short stacking energy: -136.399
Base-Backbone interact. energy: -1.447
local terms energy: -146.133161
where:
bonds (distance) C4'-P energy: -24.186
bonds (distance) P-C4' energy: -31.826
flat angles C4'-P-C4' energy: -36.971
flat angles P-C4'-P energy: -22.751
tors. eta vs tors. theta energy: -30.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -306.425942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.425942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.425942 (E_RNA)
where:
Base-Base interactions energy: -174.655
where: short stacking energy: -81.968
Base-Backbone interact. energy: 0.634
local terms energy: -132.405319
where:
bonds (distance) C4'-P energy: -35.250
bonds (distance) P-C4' energy: -32.996
flat angles C4'-P-C4' energy: -34.900
flat angles P-C4'-P energy: -18.343
tors. eta vs tors. theta energy: -10.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -191.310771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.310771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.310771 (E_RNA)
where:
Base-Base interactions energy: -99.097
where: short stacking energy: -57.314
Base-Backbone interact. energy: -0.507
local terms energy: -91.707109
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -28.424
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: -2.436
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: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -171.184979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.184979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.184979 (E_RNA)
where:
Base-Base interactions energy: -63.944
where: short stacking energy: -40.031
Base-Backbone interact. energy: -0.384
local terms energy: -106.856480
where:
bonds (distance) C4'-P energy: -38.438
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -29.806
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: 3.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -179.623493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.623493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.623493 (E_RNA)
where:
Base-Base interactions energy: -92.642
where: short stacking energy: -36.642
Base-Backbone interact. energy: 2.268
local terms energy: -89.248731
where:
bonds (distance) C4'-P energy: -28.692
bonds (distance) P-C4' energy: -29.723
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: 6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -536.127082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.127082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.127082 (E_RNA)
where:
Base-Base interactions energy: -350.073
where: short stacking energy: -154.825
Base-Backbone interact. energy: -0.359
local terms energy: -185.694547
where:
bonds (distance) C4'-P energy: -35.973
bonds (distance) P-C4' energy: -37.229
flat angles C4'-P-C4' energy: -38.005
flat angles P-C4'-P energy: -29.969
tors. eta vs tors. theta energy: -44.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -521.708588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.708588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.708588 (E_RNA)
where:
Base-Base interactions energy: -345.972
where: short stacking energy: -164.757
Base-Backbone interact. energy: -1.891
local terms energy: -173.845880
where:
bonds (distance) C4'-P energy: -31.271
bonds (distance) P-C4' energy: -34.400
flat angles C4'-P-C4' energy: -36.626
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -52.956
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: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -460.001906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.001906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.001906 (E_RNA)
where:
Base-Base interactions energy: -293.579
where: short stacking energy: -116.515
Base-Backbone interact. energy: -0.949
local terms energy: -165.474241
where:
bonds (distance) C4'-P energy: -33.216
bonds (distance) P-C4' energy: -29.954
flat angles C4'-P-C4' energy: -40.956
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -36.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -509.487751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.487751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.487751 (E_RNA)
where:
Base-Base interactions energy: -338.774
where: short stacking energy: -157.954
Base-Backbone interact. energy: -0.057
local terms energy: -170.656769
where:
bonds (distance) C4'-P energy: -31.637
bonds (distance) P-C4' energy: -27.351
flat angles C4'-P-C4' energy: -35.344
flat angles P-C4'-P energy: -28.709
tors. eta vs tors. theta energy: -47.617
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: 374
Temperature: 1.100000
Total energy: -459.253284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.253284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.253284 (E_RNA)
where:
Base-Base interactions energy: -293.800
where: short stacking energy: -125.265
Base-Backbone interact. energy: -0.128
local terms energy: -165.324935
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -36.474
flat angles C4'-P-C4' energy: -38.736
flat angles P-C4'-P energy: -25.251
tors. eta vs tors. theta energy: -43.284
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: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -396.483777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.483777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.483777 (E_RNA)
where:
Base-Base interactions energy: -258.626
where: short stacking energy: -121.166
Base-Backbone interact. energy: -0.889
local terms energy: -136.969229
where:
bonds (distance) C4'-P energy: -26.533
bonds (distance) P-C4' energy: -29.504
flat angles C4'-P-C4' energy: -28.924
flat angles P-C4'-P energy: -21.064
tors. eta vs tors. theta energy: -30.944
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: 7
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -347.220199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.220199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.220199 (E_RNA)
where:
Base-Base interactions energy: -220.834
where: short stacking energy: -105.099
Base-Backbone interact. energy: 0.150
local terms energy: -126.535334
where:
bonds (distance) C4'-P energy: -29.913
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -34.168
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -22.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -159.292261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.292261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.292261 (E_RNA)
where:
Base-Base interactions energy: -66.720
where: short stacking energy: -43.509
Base-Backbone interact. energy: 0.109
local terms energy: -92.681090
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -34.320
flat angles C4'-P-C4' energy: -26.733
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -159.903716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.903716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.903716 (E_RNA)
where:
Base-Base interactions energy: -64.662
where: short stacking energy: -51.031
Base-Backbone interact. energy: 4.839
local terms energy: -100.081047
where:
bonds (distance) C4'-P energy: -27.201
bonds (distance) P-C4' energy: -36.904
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: 6.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -156.410266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.410266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.410266 (E_RNA)
where:
Base-Base interactions energy: -54.451
where: short stacking energy: -38.752
Base-Backbone interact. energy: -0.839
local terms energy: -101.120364
where:
bonds (distance) C4'-P energy: -29.129
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -32.299
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -532.066796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.066796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.066796 (E_RNA)
where:
Base-Base interactions energy: -362.250
where: short stacking energy: -160.521
Base-Backbone interact. energy: 0.297
local terms energy: -170.113639
where:
bonds (distance) C4'-P energy: -33.685
bonds (distance) P-C4' energy: -31.929
flat angles C4'-P-C4' energy: -37.895
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -43.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -498.044093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.044093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.044093 (E_RNA)
where:
Base-Base interactions energy: -312.329
where: short stacking energy: -148.086
Base-Backbone interact. energy: -0.123
local terms energy: -185.592028
where:
bonds (distance) C4'-P energy: -34.282
bonds (distance) P-C4' energy: -40.241
flat angles C4'-P-C4' energy: -39.870
flat angles P-C4'-P energy: -24.883
tors. eta vs tors. theta energy: -46.317
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: 8
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -477.494970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.494970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.494970 (E_RNA)
where:
Base-Base interactions energy: -301.431
where: short stacking energy: -127.336
Base-Backbone interact. energy: -0.546
local terms energy: -175.518755
where:
bonds (distance) C4'-P energy: -34.285
bonds (distance) P-C4' energy: -36.354
flat angles C4'-P-C4' energy: -35.234
flat angles P-C4'-P energy: -28.410
tors. eta vs tors. theta energy: -41.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -495.251459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.251459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.251459 (E_RNA)
where:
Base-Base interactions energy: -315.770
where: short stacking energy: -134.280
Base-Backbone interact. energy: -0.537
local terms energy: -178.944861
where:
bonds (distance) C4'-P energy: -36.839
bonds (distance) P-C4' energy: -37.674
flat angles C4'-P-C4' energy: -33.941
flat angles P-C4'-P energy: -21.737
tors. eta vs tors. theta energy: -48.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -410.901321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.901321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.901321 (E_RNA)
where:
Base-Base interactions energy: -257.537
where: short stacking energy: -124.136
Base-Backbone interact. energy: 1.154
local terms energy: -154.519115
where:
bonds (distance) C4'-P energy: -28.729
bonds (distance) P-C4' energy: -32.946
flat angles C4'-P-C4' energy: -33.070
flat angles P-C4'-P energy: -23.408
tors. eta vs tors. theta energy: -36.367
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: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -384.264202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.264202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.264202 (E_RNA)
where:
Base-Base interactions energy: -239.511
where: short stacking energy: -115.043
Base-Backbone interact. energy: -0.938
local terms energy: -143.815843
where:
bonds (distance) C4'-P energy: -30.423
bonds (distance) P-C4' energy: -29.140
flat angles C4'-P-C4' energy: -27.158
flat angles P-C4'-P energy: -23.845
tors. eta vs tors. theta energy: -33.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -359.123810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.123810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.123810 (E_RNA)
where:
Base-Base interactions energy: -221.719
where: short stacking energy: -93.230
Base-Backbone interact. energy: -0.774
local terms energy: -136.631002
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -28.796
flat angles C4'-P-C4' energy: -36.059
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -28.243
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: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -172.689479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.689479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.689479 (E_RNA)
where:
Base-Base interactions energy: -66.818
where: short stacking energy: -31.642
Base-Backbone interact. energy: -0.591
local terms energy: -105.280542
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -36.852
flat angles C4'-P-C4' energy: -28.684
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -157.498383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.498383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.498383 (E_RNA)
where:
Base-Base interactions energy: -57.550
where: short stacking energy: -32.711
Base-Backbone interact. energy: 1.009
local terms energy: -100.957802
where:
bonds (distance) C4'-P energy: -32.603
bonds (distance) P-C4' energy: -22.800
flat angles C4'-P-C4' energy: -26.082
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -169.267779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.267779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.267779 (E_RNA)
where:
Base-Base interactions energy: -61.373
where: short stacking energy: -52.875
Base-Backbone interact. energy: -0.301
local terms energy: -107.594161
where:
bonds (distance) C4'-P energy: -27.531
bonds (distance) P-C4' energy: -32.598
flat angles C4'-P-C4' energy: -24.081
flat angles P-C4'-P energy: -12.055
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: 1, replica: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -536.115954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.115954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.115954 (E_RNA)
where:
Base-Base interactions energy: -348.954
where: short stacking energy: -152.015
Base-Backbone interact. energy: -0.762
local terms energy: -186.400409
where:
bonds (distance) C4'-P energy: -40.560
bonds (distance) P-C4' energy: -40.256
flat angles C4'-P-C4' energy: -38.811
flat angles P-C4'-P energy: -26.761
tors. eta vs tors. theta energy: -40.013
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: 6
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -484.234715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.234715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.234715 (E_RNA)
where:
Base-Base interactions energy: -301.050
where: short stacking energy: -131.282
Base-Backbone interact. energy: -0.379
local terms energy: -182.805841
where:
bonds (distance) C4'-P energy: -37.158
bonds (distance) P-C4' energy: -36.299
flat angles C4'-P-C4' energy: -34.608
flat angles P-C4'-P energy: -27.575
tors. eta vs tors. theta energy: -47.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -491.248262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.248262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.248262 (E_RNA)
where:
Base-Base interactions energy: -330.859
where: short stacking energy: -151.463
Base-Backbone interact. energy: -0.588
local terms energy: -159.801694
where:
bonds (distance) C4'-P energy: -32.439
bonds (distance) P-C4' energy: -27.977
flat angles C4'-P-C4' energy: -31.790
flat angles P-C4'-P energy: -21.296
tors. eta vs tors. theta energy: -46.301
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: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -476.048459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.048459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.048459 (E_RNA)
where:
Base-Base interactions energy: -308.723
where: short stacking energy: -136.755
Base-Backbone interact. energy: -0.897
local terms energy: -166.429114
where:
bonds (distance) C4'-P energy: -26.595
bonds (distance) P-C4' energy: -31.514
flat angles C4'-P-C4' energy: -36.566
flat angles P-C4'-P energy: -27.132
tors. eta vs tors. theta energy: -44.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -425.824821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.824821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.824821 (E_RNA)
where:
Base-Base interactions energy: -277.135
where: short stacking energy: -104.671
Base-Backbone interact. energy: -0.358
local terms energy: -148.331563
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -29.262
flat angles C4'-P-C4' energy: -32.081
flat angles P-C4'-P energy: -27.021
tors. eta vs tors. theta energy: -38.843
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: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -415.012284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.012284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.012284 (E_RNA)
where:
Base-Base interactions energy: -252.951
where: short stacking energy: -124.820
Base-Backbone interact. energy: -0.192
local terms energy: -161.869329
where:
bonds (distance) C4'-P energy: -36.445
bonds (distance) P-C4' energy: -27.384
flat angles C4'-P-C4' energy: -31.179
flat angles P-C4'-P energy: -22.144
tors. eta vs tors. theta energy: -44.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -286.536841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.536841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.536841 (E_RNA)
where:
Base-Base interactions energy: -162.453
where: short stacking energy: -69.294
Base-Backbone interact. energy: -0.615
local terms energy: -123.469369
where:
bonds (distance) C4'-P energy: -30.993
bonds (distance) P-C4' energy: -29.707
flat angles C4'-P-C4' energy: -32.665
flat angles P-C4'-P energy: -20.742
tors. eta vs tors. theta energy: -9.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -196.681619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.681619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.681619 (E_RNA)
where:
Base-Base interactions energy: -89.911
where: short stacking energy: -60.269
Base-Backbone interact. energy: -1.645
local terms energy: -105.125427
where:
bonds (distance) C4'-P energy: -28.747
bonds (distance) P-C4' energy: -33.820
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -163.184535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.184535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.184535 (E_RNA)
where:
Base-Base interactions energy: -65.239
where: short stacking energy: -57.928
Base-Backbone interact. energy: -1.088
local terms energy: -96.857894
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -27.640
flat angles C4'-P-C4' energy: -27.911
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -9.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -142.599994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.599994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.599994 (E_RNA)
where:
Base-Base interactions energy: -57.596
where: short stacking energy: -55.313
Base-Backbone interact. energy: -0.619
local terms energy: -84.385743
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -17.396
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -524.056121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.056121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.056121 (E_RNA)
where:
Base-Base interactions energy: -337.266
where: short stacking energy: -149.419
Base-Backbone interact. energy: -0.624
local terms energy: -186.166868
where:
bonds (distance) C4'-P energy: -36.339
bonds (distance) P-C4' energy: -34.641
flat angles C4'-P-C4' energy: -40.911
flat angles P-C4'-P energy: -31.814
tors. eta vs tors. theta energy: -42.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -497.827240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.827240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.827240 (E_RNA)
where:
Base-Base interactions energy: -310.351
where: short stacking energy: -145.328
Base-Backbone interact. energy: -0.926
local terms energy: -186.550103
where:
bonds (distance) C4'-P energy: -37.647
bonds (distance) P-C4' energy: -31.519
flat angles C4'-P-C4' energy: -34.362
flat angles P-C4'-P energy: -31.057
tors. eta vs tors. theta energy: -51.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -490.536085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.536085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.536085 (E_RNA)
where:
Base-Base interactions energy: -320.880
where: short stacking energy: -136.503
Base-Backbone interact. energy: -0.569
local terms energy: -169.087063
where:
bonds (distance) C4'-P energy: -33.553
bonds (distance) P-C4' energy: -36.902
flat angles C4'-P-C4' energy: -36.031
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -45.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -475.892506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.892506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.892506 (E_RNA)
where:
Base-Base interactions energy: -315.205
where: short stacking energy: -136.353
Base-Backbone interact. energy: -0.516
local terms energy: -160.171491
where:
bonds (distance) C4'-P energy: -38.365
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -33.132
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -44.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -424.566616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.566616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.566616 (E_RNA)
where:
Base-Base interactions energy: -286.321
where: short stacking energy: -118.318
Base-Backbone interact. energy: -0.431
local terms energy: -137.814312
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -32.693
flat angles P-C4'-P energy: -19.462
tors. eta vs tors. theta energy: -35.714
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: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -392.786943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.786943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.786943 (E_RNA)
where:
Base-Base interactions energy: -263.015
where: short stacking energy: -124.775
Base-Backbone interact. energy: -0.469
local terms energy: -129.303052
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -32.838
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -40.839
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: 2
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -294.070135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.070135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.070135 (E_RNA)
where:
Base-Base interactions energy: -180.419
where: short stacking energy: -60.612
Base-Backbone interact. energy: -0.770
local terms energy: -112.881861
where:
bonds (distance) C4'-P energy: -30.431
bonds (distance) P-C4' energy: -34.471
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -11.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -207.789303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.789303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.789303 (E_RNA)
where:
Base-Base interactions energy: -96.823
where: short stacking energy: -59.975
Base-Backbone interact. energy: 0.433
local terms energy: -111.398823
where:
bonds (distance) C4'-P energy: -31.372
bonds (distance) P-C4' energy: -36.088
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -16.631
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: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -159.898687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.898687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.898687 (E_RNA)
where:
Base-Base interactions energy: -55.391
where: short stacking energy: -52.925
Base-Backbone interact. energy: 0.592
local terms energy: -105.099860
where:
bonds (distance) C4'-P energy: -31.510
bonds (distance) P-C4' energy: -27.198
flat angles C4'-P-C4' energy: -24.801
flat angles P-C4'-P energy: -18.208
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: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -150.488350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.488350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.488350 (E_RNA)
where:
Base-Base interactions energy: -37.596
where: short stacking energy: -27.446
Base-Backbone interact. energy: 2.205
local terms energy: -115.096935
where:
bonds (distance) C4'-P energy: -25.877
bonds (distance) P-C4' energy: -35.334
flat angles C4'-P-C4' energy: -37.497
flat angles P-C4'-P energy: -19.433
tors. eta vs tors. theta energy: 3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -529.544911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.544911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.544911 (E_RNA)
where:
Base-Base interactions energy: -345.963
where: short stacking energy: -153.010
Base-Backbone interact. energy: -0.447
local terms energy: -183.135275
where:
bonds (distance) C4'-P energy: -32.569
bonds (distance) P-C4' energy: -37.602
flat angles C4'-P-C4' energy: -39.818
flat angles P-C4'-P energy: -28.023
tors. eta vs tors. theta energy: -45.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -490.541163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.541163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.541163 (E_RNA)
where:
Base-Base interactions energy: -311.270
where: short stacking energy: -146.193
Base-Backbone interact. energy: -0.825
local terms energy: -178.446493
where:
bonds (distance) C4'-P energy: -34.009
bonds (distance) P-C4' energy: -32.354
flat angles C4'-P-C4' energy: -37.992
flat angles P-C4'-P energy: -25.207
tors. eta vs tors. theta energy: -48.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -506.944943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.944943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.944943 (E_RNA)
where:
Base-Base interactions energy: -344.672
where: short stacking energy: -156.538
Base-Backbone interact. energy: -0.616
local terms energy: -161.656955
where:
bonds (distance) C4'-P energy: -28.604
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -37.895
flat angles P-C4'-P energy: -18.298
tors. eta vs tors. theta energy: -53.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -480.252188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.252188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.252188 (E_RNA)
where:
Base-Base interactions energy: -314.697
where: short stacking energy: -125.463
Base-Backbone interact. energy: 0.050
local terms energy: -165.605280
where:
bonds (distance) C4'-P energy: -36.677
bonds (distance) P-C4' energy: -38.868
flat angles C4'-P-C4' energy: -27.831
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: -37.732
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: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -413.532010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.532010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.532010 (E_RNA)
where:
Base-Base interactions energy: -267.310
where: short stacking energy: -121.301
Base-Backbone interact. energy: 0.565
local terms energy: -146.786519
where:
bonds (distance) C4'-P energy: -26.751
bonds (distance) P-C4' energy: -30.913
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: -36.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -421.148192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.148192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.148192 (E_RNA)
where:
Base-Base interactions energy: -263.120
where: short stacking energy: -112.902
Base-Backbone interact. energy: -0.168
local terms energy: -157.860703
where:
bonds (distance) C4'-P energy: -31.971
bonds (distance) P-C4' energy: -29.680
flat angles C4'-P-C4' energy: -32.722
flat angles P-C4'-P energy: -24.869
tors. eta vs tors. theta energy: -38.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -256.078081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.078081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.078081 (E_RNA)
where:
Base-Base interactions energy: -134.397
where: short stacking energy: -74.505
Base-Backbone interact. energy: 0.216
local terms energy: -121.896286
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -29.795
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -23.043
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -315.019599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.019599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.019599 (E_RNA)
where:
Base-Base interactions energy: -195.659
where: short stacking energy: -96.451
Base-Backbone interact. energy: 0.891
local terms energy: -120.251918
where:
bonds (distance) C4'-P energy: -26.790
bonds (distance) P-C4' energy: -29.785
flat angles C4'-P-C4' energy: -25.998
flat angles P-C4'-P energy: -20.887
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -156.970167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.970167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.970167 (E_RNA)
where:
Base-Base interactions energy: -49.133
where: short stacking energy: -39.496
Base-Backbone interact. energy: 0.350
local terms energy: -108.187540
where:
bonds (distance) C4'-P energy: -29.586
bonds (distance) P-C4' energy: -38.942
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: 0.840
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: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -140.028595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.028595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.028595 (E_RNA)
where:
Base-Base interactions energy: -42.256
where: short stacking energy: -39.529
Base-Backbone interact. energy: -0.681
local terms energy: -97.091684
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -33.712
flat angles P-C4'-P energy: -15.266
tors. eta vs tors. theta energy: 6.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -525.761336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.761336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.761336 (E_RNA)
where:
Base-Base interactions energy: -345.769
where: short stacking energy: -147.591
Base-Backbone interact. energy: -2.005
local terms energy: -177.987634
where:
bonds (distance) C4'-P energy: -29.954
bonds (distance) P-C4' energy: -39.566
flat angles C4'-P-C4' energy: -36.291
flat angles P-C4'-P energy: -27.427
tors. eta vs tors. theta energy: -44.749
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: 2, replica: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -530.770785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.770785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.770785 (E_RNA)
where:
Base-Base interactions energy: -341.553
where: short stacking energy: -157.393
Base-Backbone interact. energy: -1.757
local terms energy: -187.460774
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -32.126
flat angles C4'-P-C4' energy: -37.444
flat angles P-C4'-P energy: -31.607
tors. eta vs tors. theta energy: -54.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -487.337832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.337832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.337832 (E_RNA)
where:
Base-Base interactions energy: -315.601
where: short stacking energy: -142.907
Base-Backbone interact. energy: -1.211
local terms energy: -170.525864
where:
bonds (distance) C4'-P energy: -35.008
bonds (distance) P-C4' energy: -40.617
flat angles C4'-P-C4' energy: -31.044
flat angles P-C4'-P energy: -24.576
tors. eta vs tors. theta energy: -39.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -499.308601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.308601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.308601 (E_RNA)
where:
Base-Base interactions energy: -330.818
where: short stacking energy: -133.769
Base-Backbone interact. energy: -0.381
local terms energy: -168.110193
where:
bonds (distance) C4'-P energy: -32.216
bonds (distance) P-C4' energy: -32.953
flat angles C4'-P-C4' energy: -36.918
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -46.180
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: 5, replica: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -434.116546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.116546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.116546 (E_RNA)
where:
Base-Base interactions energy: -283.741
where: short stacking energy: -128.454
Base-Backbone interact. energy: -0.025
local terms energy: -150.350782
where:
bonds (distance) C4'-P energy: -39.150
bonds (distance) P-C4' energy: -27.391
flat angles C4'-P-C4' energy: -29.847
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -38.714
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: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -428.592978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.592978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.592978 (E_RNA)
where:
Base-Base interactions energy: -282.636
where: short stacking energy: -130.256
Base-Backbone interact. energy: -0.964
local terms energy: -144.993354
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -32.914
flat angles P-C4'-P energy: -17.569
tors. eta vs tors. theta energy: -40.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -267.383927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.383927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.383927 (E_RNA)
where:
Base-Base interactions energy: -150.582
where: short stacking energy: -81.725
Base-Backbone interact. energy: 0.366
local terms energy: -117.168171
where:
bonds (distance) C4'-P energy: -25.888
bonds (distance) P-C4' energy: -32.022
flat angles C4'-P-C4' energy: -31.113
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -10.916
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: 2
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -289.957911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.957911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.957911 (E_RNA)
where:
Base-Base interactions energy: -167.065
where: short stacking energy: -72.052
Base-Backbone interact. energy: 1.189
local terms energy: -124.081983
where:
bonds (distance) C4'-P energy: -31.121
bonds (distance) P-C4' energy: -24.265
flat angles C4'-P-C4' energy: -33.263
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -16.770
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: 5
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -175.043617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.043617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.043617 (E_RNA)
where:
Base-Base interactions energy: -72.415
where: short stacking energy: -47.691
Base-Backbone interact. energy: -0.512
local terms energy: -102.116675
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -34.687
flat angles C4'-P-C4' energy: -26.178
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: 4.546
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: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -154.568976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.568976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.568976 (E_RNA)
where:
Base-Base interactions energy: -54.060
where: short stacking energy: -32.688
Base-Backbone interact. energy: 1.162
local terms energy: -101.670859
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -36.564
flat angles C4'-P-C4' energy: -34.663
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: 5.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -525.847617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.847617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.847617 (E_RNA)
where:
Base-Base interactions energy: -336.877
where: short stacking energy: -145.027
Base-Backbone interact. energy: -0.607
local terms energy: -188.363714
where:
bonds (distance) C4'-P energy: -32.451
bonds (distance) P-C4' energy: -39.611
flat angles C4'-P-C4' energy: -38.379
flat angles P-C4'-P energy: -29.700
tors. eta vs tors. theta energy: -48.224
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: 2, replica: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -510.517175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.517175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.517175 (E_RNA)
where:
Base-Base interactions energy: -338.571
where: short stacking energy: -143.879
Base-Backbone interact. energy: -0.296
local terms energy: -171.650620
where:
bonds (distance) C4'-P energy: -41.169
bonds (distance) P-C4' energy: -34.876
flat angles C4'-P-C4' energy: -35.695
flat angles P-C4'-P energy: -22.385
tors. eta vs tors. theta energy: -37.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -515.007216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.007216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.007216 (E_RNA)
where:
Base-Base interactions energy: -350.361
where: short stacking energy: -134.098
Base-Backbone interact. energy: -0.474
local terms energy: -164.172225
where:
bonds (distance) C4'-P energy: -32.162
bonds (distance) P-C4' energy: -33.705
flat angles C4'-P-C4' energy: -30.972
flat angles P-C4'-P energy: -22.275
tors. eta vs tors. theta energy: -45.059
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: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -492.910253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.910253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.910253 (E_RNA)
where:
Base-Base interactions energy: -326.070
where: short stacking energy: -151.163
Base-Backbone interact. energy: -0.495
local terms energy: -166.345196
where:
bonds (distance) C4'-P energy: -28.517
bonds (distance) P-C4' energy: -31.404
flat angles C4'-P-C4' energy: -38.367
flat angles P-C4'-P energy: -21.855
tors. eta vs tors. theta energy: -46.203
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: 7
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -432.576674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.576674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.576674 (E_RNA)
where:
Base-Base interactions energy: -281.878
where: short stacking energy: -117.019
Base-Backbone interact. energy: 0.898
local terms energy: -151.597275
where:
bonds (distance) C4'-P energy: -31.137
bonds (distance) P-C4' energy: -28.360
flat angles C4'-P-C4' energy: -29.651
flat angles P-C4'-P energy: -24.337
tors. eta vs tors. theta energy: -38.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -427.874748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.874748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.874748 (E_RNA)
where:
Base-Base interactions energy: -273.837
where: short stacking energy: -128.249
Base-Backbone interact. energy: -0.519
local terms energy: -153.518387
where:
bonds (distance) C4'-P energy: -24.571
bonds (distance) P-C4' energy: -33.799
flat angles C4'-P-C4' energy: -30.762
flat angles P-C4'-P energy: -25.386
tors. eta vs tors. theta energy: -39.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -363.613580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.613580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.613580 (E_RNA)
where:
Base-Base interactions energy: -227.352
where: short stacking energy: -110.001
Base-Backbone interact. energy: 0.961
local terms energy: -137.222425
where:
bonds (distance) C4'-P energy: -27.363
bonds (distance) P-C4' energy: -30.389
flat angles C4'-P-C4' energy: -30.722
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -24.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -272.635719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.635719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.635719 (E_RNA)
where:
Base-Base interactions energy: -159.483
where: short stacking energy: -73.915
Base-Backbone interact. energy: 0.453
local terms energy: -113.605556
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -26.715
flat angles C4'-P-C4' energy: -29.966
flat angles P-C4'-P energy: -16.106
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: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -181.316948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.316948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.316948 (E_RNA)
where:
Base-Base interactions energy: -76.397
where: short stacking energy: -55.557
Base-Backbone interact. energy: -0.163
local terms energy: -104.756181
where:
bonds (distance) C4'-P energy: -32.777
bonds (distance) P-C4' energy: -31.292
flat angles C4'-P-C4' energy: -26.535
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -138.420872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.420872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.420872 (E_RNA)
where:
Base-Base interactions energy: -39.214
where: short stacking energy: -33.103
Base-Backbone interact. energy: 0.354
local terms energy: -99.561208
where:
bonds (distance) C4'-P energy: -35.448
bonds (distance) P-C4' energy: -29.429
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: 5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -525.902343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.902343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.902343 (E_RNA)
where:
Base-Base interactions energy: -341.130
where: short stacking energy: -159.843
Base-Backbone interact. energy: -0.569
local terms energy: -184.202753
where:
bonds (distance) C4'-P energy: -33.703
bonds (distance) P-C4' energy: -34.372
flat angles C4'-P-C4' energy: -38.375
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: -51.160
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: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -507.874108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.874108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.874108 (E_RNA)
where:
Base-Base interactions energy: -332.039
where: short stacking energy: -145.047
Base-Backbone interact. energy: -1.108
local terms energy: -174.727669
where:
bonds (distance) C4'-P energy: -33.411
bonds (distance) P-C4' energy: -36.213
flat angles C4'-P-C4' energy: -38.282
flat angles P-C4'-P energy: -24.844
tors. eta vs tors. theta energy: -41.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -490.945792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.945792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.945792 (E_RNA)
where:
Base-Base interactions energy: -324.215
where: short stacking energy: -118.722
Base-Backbone interact. energy: -1.192
local terms energy: -165.538604
where:
bonds (distance) C4'-P energy: -28.745
bonds (distance) P-C4' energy: -32.774
flat angles C4'-P-C4' energy: -35.761
flat angles P-C4'-P energy: -22.683
tors. eta vs tors. theta energy: -45.577
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: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -477.120047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.120047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.120047 (E_RNA)
where:
Base-Base interactions energy: -308.056
where: short stacking energy: -130.072
Base-Backbone interact. energy: -1.444
local terms energy: -167.620078
where:
bonds (distance) C4'-P energy: -28.935
bonds (distance) P-C4' energy: -33.846
flat angles C4'-P-C4' energy: -36.213
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -41.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -440.459467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.459467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.459467 (E_RNA)
where:
Base-Base interactions energy: -285.137
where: short stacking energy: -127.768
Base-Backbone interact. energy: -0.466
local terms energy: -154.856706
where:
bonds (distance) C4'-P energy: -35.564
bonds (distance) P-C4' energy: -29.427
flat angles C4'-P-C4' energy: -34.569
flat angles P-C4'-P energy: -18.904
tors. eta vs tors. theta energy: -36.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -424.440957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.440957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.440957 (E_RNA)
where:
Base-Base interactions energy: -266.062
where: short stacking energy: -128.044
Base-Backbone interact. energy: -0.231
local terms energy: -158.147296
where:
bonds (distance) C4'-P energy: -28.767
bonds (distance) P-C4' energy: -34.549
flat angles C4'-P-C4' energy: -35.198
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -47.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -346.654445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.654445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.654445 (E_RNA)
where:
Base-Base interactions energy: -220.577
where: short stacking energy: -88.569
Base-Backbone interact. energy: 0.921
local terms energy: -126.999066
where:
bonds (distance) C4'-P energy: -34.780
bonds (distance) P-C4' energy: -23.814
flat angles C4'-P-C4' energy: -30.211
flat angles P-C4'-P energy: -21.687
tors. eta vs tors. theta energy: -16.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -233.236765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.236765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.236765 (E_RNA)
where:
Base-Base interactions energy: -114.035
where: short stacking energy: -66.445
Base-Backbone interact. energy: 0.015
local terms energy: -119.217136
where:
bonds (distance) C4'-P energy: -29.724
bonds (distance) P-C4' energy: -35.845
flat angles C4'-P-C4' energy: -27.533
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -4.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -159.769932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.769932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.769932 (E_RNA)
where:
Base-Base interactions energy: -53.098
where: short stacking energy: -26.266
Base-Backbone interact. energy: 3.190
local terms energy: -109.861646
where:
bonds (distance) C4'-P energy: -38.639
bonds (distance) P-C4' energy: -33.858
flat angles C4'-P-C4' energy: -25.111
flat angles P-C4'-P energy: -17.643
tors. eta vs tors. theta energy: 5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -158.278035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.278035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.278035 (E_RNA)
where:
Base-Base interactions energy: -40.178
where: short stacking energy: -38.554
Base-Backbone interact. energy: -1.082
local terms energy: -117.017835
where:
bonds (distance) C4'-P energy: -26.705
bonds (distance) P-C4' energy: -34.585
flat angles C4'-P-C4' energy: -34.791
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: 0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -520.317848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.317848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.317848 (E_RNA)
where:
Base-Base interactions energy: -334.952
where: short stacking energy: -162.363
Base-Backbone interact. energy: 0.372
local terms energy: -185.738323
where:
bonds (distance) C4'-P energy: -35.064
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -35.634
flat angles P-C4'-P energy: -27.615
tors. eta vs tors. theta energy: -53.641
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: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -515.429267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.429267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.429267 (E_RNA)
where:
Base-Base interactions energy: -343.227
where: short stacking energy: -145.413
Base-Backbone interact. energy: -0.738
local terms energy: -171.463892
where:
bonds (distance) C4'-P energy: -33.491
bonds (distance) P-C4' energy: -34.888
flat angles C4'-P-C4' energy: -37.744
flat angles P-C4'-P energy: -32.470
tors. eta vs tors. theta energy: -32.871
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: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -503.422820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.422820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.422820 (E_RNA)
where:
Base-Base interactions energy: -336.198
where: short stacking energy: -152.524
Base-Backbone interact. energy: -0.411
local terms energy: -166.814024
where:
bonds (distance) C4'-P energy: -32.303
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -40.306
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -46.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -487.760386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.760386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.760386 (E_RNA)
where:
Base-Base interactions energy: -319.996
where: short stacking energy: -124.088
Base-Backbone interact. energy: -0.690
local terms energy: -167.074864
where:
bonds (distance) C4'-P energy: -37.255
bonds (distance) P-C4' energy: -33.709
flat angles C4'-P-C4' energy: -35.096
flat angles P-C4'-P energy: -22.025
tors. eta vs tors. theta energy: -38.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -476.995453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.995453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.995453 (E_RNA)
where:
Base-Base interactions energy: -313.598
where: short stacking energy: -145.937
Base-Backbone interact. energy: -0.027
local terms energy: -163.369764
where:
bonds (distance) C4'-P energy: -35.054
bonds (distance) P-C4' energy: -30.019
flat angles C4'-P-C4' energy: -26.582
flat angles P-C4'-P energy: -25.805
tors. eta vs tors. theta energy: -45.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -457.449559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.449559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.449559 (E_RNA)
where:
Base-Base interactions energy: -299.685
where: short stacking energy: -130.185
Base-Backbone interact. energy: -0.235
local terms energy: -157.530268
where:
bonds (distance) C4'-P energy: -34.740
bonds (distance) P-C4' energy: -28.338
flat angles C4'-P-C4' energy: -30.274
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: -47.036
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: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -364.065656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.065656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.065656 (E_RNA)
where:
Base-Base interactions energy: -238.973
where: short stacking energy: -89.592
Base-Backbone interact. energy: 1.279
local terms energy: -126.371738
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -35.883
flat angles C4'-P-C4' energy: -26.375
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -24.876
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: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -160.672423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.672423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.672423 (E_RNA)
where:
Base-Base interactions energy: -59.189
where: short stacking energy: -50.627
Base-Backbone interact. energy: -0.597
local terms energy: -100.887229
where:
bonds (distance) C4'-P energy: -34.373
bonds (distance) P-C4' energy: -33.724
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: 4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -153.046625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.046625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.046625 (E_RNA)
where:
Base-Base interactions energy: -43.383
where: short stacking energy: -39.675
Base-Backbone interact. energy: -0.106
local terms energy: -109.557410
where:
bonds (distance) C4'-P energy: -31.988
bonds (distance) P-C4' energy: -33.636
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: 1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -145.520506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.520506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.520506 (E_RNA)
where:
Base-Base interactions energy: -42.735
where: short stacking energy: -38.878
Base-Backbone interact. energy: -0.277
local terms energy: -102.507852
where:
bonds (distance) C4'-P energy: -30.655
bonds (distance) P-C4' energy: -28.045
flat angles C4'-P-C4' energy: -28.985
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: 4.928
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: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -537.943381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.943381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.943381 (E_RNA)
where:
Base-Base interactions energy: -364.404
where: short stacking energy: -161.111
Base-Backbone interact. energy: -1.481
local terms energy: -172.058105
where:
bonds (distance) C4'-P energy: -35.264
bonds (distance) P-C4' energy: -34.224
flat angles C4'-P-C4' energy: -33.143
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -52.779
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: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -507.484958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.484958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.484958 (E_RNA)
where:
Base-Base interactions energy: -322.822
where: short stacking energy: -149.895
Base-Backbone interact. energy: -0.039
local terms energy: -184.623635
where:
bonds (distance) C4'-P energy: -36.444
bonds (distance) P-C4' energy: -37.711
flat angles C4'-P-C4' energy: -35.699
flat angles P-C4'-P energy: -22.184
tors. eta vs tors. theta energy: -52.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -492.084936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.084936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.084936 (E_RNA)
where:
Base-Base interactions energy: -329.783
where: short stacking energy: -128.875
Base-Backbone interact. energy: -0.345
local terms energy: -161.956649
where:
bonds (distance) C4'-P energy: -39.299
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -36.014
flat angles P-C4'-P energy: -25.447
tors. eta vs tors. theta energy: -39.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -493.837903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.837903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.837903 (E_RNA)
where:
Base-Base interactions energy: -306.849
where: short stacking energy: -136.113
Base-Backbone interact. energy: -0.560
local terms energy: -186.429024
where:
bonds (distance) C4'-P energy: -36.783
bonds (distance) P-C4' energy: -39.485
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -29.690
tors. eta vs tors. theta energy: -45.893
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: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -466.478573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.478573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.478573 (E_RNA)
where:
Base-Base interactions energy: -323.300
where: short stacking energy: -134.524
Base-Backbone interact. energy: 0.131
local terms energy: -143.309390
where:
bonds (distance) C4'-P energy: -32.054
bonds (distance) P-C4' energy: -36.584
flat angles C4'-P-C4' energy: -29.275
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -32.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -408.215867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.215867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.215867 (E_RNA)
where:
Base-Base interactions energy: -257.975
where: short stacking energy: -118.435
Base-Backbone interact. energy: -1.057
local terms energy: -149.183856
where:
bonds (distance) C4'-P energy: -32.235
bonds (distance) P-C4' energy: -36.211
flat angles C4'-P-C4' energy: -29.650
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -31.768
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: 383
Temperature: 1.200000
Total energy: -338.954121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.954121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.954121 (E_RNA)
where:
Base-Base interactions energy: -206.206
where: short stacking energy: -92.394
Base-Backbone interact. energy: -0.528
local terms energy: -132.219744
where:
bonds (distance) C4'-P energy: -32.091
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -23.965
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: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -173.713976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.713976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.713976 (E_RNA)
where:
Base-Base interactions energy: -72.231
where: short stacking energy: -59.531
Base-Backbone interact. energy: 0.805
local terms energy: -102.287921
where:
bonds (distance) C4'-P energy: -27.431
bonds (distance) P-C4' energy: -31.340
flat angles C4'-P-C4' energy: -27.258
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -151.850629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.850629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.850629 (E_RNA)
where:
Base-Base interactions energy: -47.792
where: short stacking energy: -38.549
Base-Backbone interact. energy: -0.707
local terms energy: -103.351415
where:
bonds (distance) C4'-P energy: -32.632
bonds (distance) P-C4' energy: -36.511
flat angles C4'-P-C4' energy: -27.828
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: 7.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -151.233431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.233431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.233431 (E_RNA)
where:
Base-Base interactions energy: -49.729
where: short stacking energy: -38.990
Base-Backbone interact. energy: -0.274
local terms energy: -101.230726
where:
bonds (distance) C4'-P energy: -30.654
bonds (distance) P-C4' energy: -22.900
flat angles C4'-P-C4' energy: -28.241
flat angles P-C4'-P energy: -19.931
tors. eta vs tors. theta energy: 0.494
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: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -547.676538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.676538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.676538 (E_RNA)
where:
Base-Base interactions energy: -365.304
where: short stacking energy: -159.516
Base-Backbone interact. energy: -0.823
local terms energy: -181.549448
where:
bonds (distance) C4'-P energy: -30.484
bonds (distance) P-C4' energy: -32.490
flat angles C4'-P-C4' energy: -38.745
flat angles P-C4'-P energy: -24.979
tors. eta vs tors. theta energy: -54.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -517.072032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.072032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.072032 (E_RNA)
where:
Base-Base interactions energy: -338.075
where: short stacking energy: -160.697
Base-Backbone interact. energy: -0.046
local terms energy: -178.950501
where:
bonds (distance) C4'-P energy: -31.670
bonds (distance) P-C4' energy: -32.715
flat angles C4'-P-C4' energy: -33.172
flat angles P-C4'-P energy: -29.028
tors. eta vs tors. theta energy: -52.366
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: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -490.561853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.561853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.561853 (E_RNA)
where:
Base-Base interactions energy: -324.048
where: short stacking energy: -141.998
Base-Backbone interact. energy: -0.399
local terms energy: -166.115537
where:
bonds (distance) C4'-P energy: -40.343
bonds (distance) P-C4' energy: -33.953
flat angles C4'-P-C4' energy: -24.776
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: -45.294
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: 4, replica: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -497.562946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.562946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.562946 (E_RNA)
where:
Base-Base interactions energy: -331.871
where: short stacking energy: -138.524
Base-Backbone interact. energy: -0.467
local terms energy: -165.224877
where:
bonds (distance) C4'-P energy: -25.300
bonds (distance) P-C4' energy: -30.530
flat angles C4'-P-C4' energy: -37.330
flat angles P-C4'-P energy: -30.002
tors. eta vs tors. theta energy: -42.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -436.096862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.096862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.096862 (E_RNA)
where:
Base-Base interactions energy: -278.802
where: short stacking energy: -124.777
Base-Backbone interact. energy: -0.278
local terms energy: -157.016473
where:
bonds (distance) C4'-P energy: -30.109
bonds (distance) P-C4' energy: -28.601
flat angles C4'-P-C4' energy: -33.563
flat angles P-C4'-P energy: -25.119
tors. eta vs tors. theta energy: -39.624
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: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -423.595286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.595286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.595286 (E_RNA)
where:
Base-Base interactions energy: -276.428
where: short stacking energy: -111.514
Base-Backbone interact. energy: -1.498
local terms energy: -145.669363
where:
bonds (distance) C4'-P energy: -28.766
bonds (distance) P-C4' energy: -26.775
flat angles C4'-P-C4' energy: -30.888
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -35.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -290.114837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.114837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.114837 (E_RNA)
where:
Base-Base interactions energy: -171.151
where: short stacking energy: -82.314
Base-Backbone interact. energy: 3.750
local terms energy: -122.713660
where:
bonds (distance) C4'-P energy: -35.237
bonds (distance) P-C4' energy: -27.903
flat angles C4'-P-C4' energy: -24.011
flat angles P-C4'-P energy: -20.301
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -157.869238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.869238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.869238 (E_RNA)
where:
Base-Base interactions energy: -46.439
where: short stacking energy: -45.920
Base-Backbone interact. energy: -0.427
local terms energy: -111.003929
where:
bonds (distance) C4'-P energy: -29.356
bonds (distance) P-C4' energy: -36.233
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -20.118
tors. eta vs tors. theta energy: -1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -146.849742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.849742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.849742 (E_RNA)
where:
Base-Base interactions energy: -57.695
where: short stacking energy: -30.461
Base-Backbone interact. energy: 0.088
local terms energy: -89.242638
where:
bonds (distance) C4'-P energy: -32.497
bonds (distance) P-C4' energy: -29.117
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: 0.415
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: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -156.972696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.972696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.972696 (E_RNA)
where:
Base-Base interactions energy: -71.741
where: short stacking energy: -41.820
Base-Backbone interact. energy: -0.493
local terms energy: -84.738143
where:
bonds (distance) C4'-P energy: -31.532
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -29.955
flat angles P-C4'-P energy: -16.333
tors. eta vs tors. theta energy: 8.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -550.067973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.067973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.067973 (E_RNA)
where:
Base-Base interactions energy: -363.933
where: short stacking energy: -166.662
Base-Backbone interact. energy: 1.690
local terms energy: -187.825418
where:
bonds (distance) C4'-P energy: -31.111
bonds (distance) P-C4' energy: -35.305
flat angles C4'-P-C4' energy: -44.394
flat angles P-C4'-P energy: -22.852
tors. eta vs tors. theta energy: -54.163
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: 9
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -510.974496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.974496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.974496 (E_RNA)
where:
Base-Base interactions energy: -341.098
where: short stacking energy: -141.931
Base-Backbone interact. energy: -0.054
local terms energy: -169.822191
where:
bonds (distance) C4'-P energy: -34.273
bonds (distance) P-C4' energy: -37.039
flat angles C4'-P-C4' energy: -32.842
flat angles P-C4'-P energy: -20.908
tors. eta vs tors. theta energy: -44.761
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: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -503.408679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.408679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.408679 (E_RNA)
where:
Base-Base interactions energy: -322.535
where: short stacking energy: -151.743
Base-Backbone interact. energy: -0.454
local terms energy: -180.419791
where:
bonds (distance) C4'-P energy: -32.265
bonds (distance) P-C4' energy: -32.795
flat angles C4'-P-C4' energy: -39.061
flat angles P-C4'-P energy: -24.756
tors. eta vs tors. theta energy: -51.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -505.728525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.728525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.728525 (E_RNA)
where:
Base-Base interactions energy: -347.900
where: short stacking energy: -146.898
Base-Backbone interact. energy: -1.032
local terms energy: -156.796878
where:
bonds (distance) C4'-P energy: -25.063
bonds (distance) P-C4' energy: -27.735
flat angles C4'-P-C4' energy: -33.404
flat angles P-C4'-P energy: -25.975
tors. eta vs tors. theta energy: -44.620
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: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -455.374091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.374091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.374091 (E_RNA)
where:
Base-Base interactions energy: -291.707
where: short stacking energy: -134.816
Base-Backbone interact. energy: 0.282
local terms energy: -163.950019
where:
bonds (distance) C4'-P energy: -35.176
bonds (distance) P-C4' energy: -36.008
flat angles C4'-P-C4' energy: -34.526
flat angles P-C4'-P energy: -20.280
tors. eta vs tors. theta energy: -37.960
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: 6, replica: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -378.970121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.970121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.970121 (E_RNA)
where:
Base-Base interactions energy: -243.065
where: short stacking energy: -87.861
Base-Backbone interact. energy: -1.421
local terms energy: -134.484253
where:
bonds (distance) C4'-P energy: -26.448
bonds (distance) P-C4' energy: -33.120
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -23.148
tors. eta vs tors. theta energy: -25.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -282.549565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.549565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.549565 (E_RNA)
where:
Base-Base interactions energy: -165.100
where: short stacking energy: -78.627
Base-Backbone interact. energy: -0.120
local terms energy: -117.329474
where:
bonds (distance) C4'-P energy: -28.609
bonds (distance) P-C4' energy: -28.101
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: -19.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -164.045519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.045519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.045519 (E_RNA)
where:
Base-Base interactions energy: -62.890
where: short stacking energy: -45.781
Base-Backbone interact. energy: 0.296
local terms energy: -101.451849
where:
bonds (distance) C4'-P energy: -32.996
bonds (distance) P-C4' energy: -29.862
flat angles C4'-P-C4' energy: -29.205
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: 6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -164.672195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.672195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.672195 (E_RNA)
where:
Base-Base interactions energy: -67.085
where: short stacking energy: -59.225
Base-Backbone interact. energy: 1.369
local terms energy: -98.956545
where:
bonds (distance) C4'-P energy: -24.027
bonds (distance) P-C4' energy: -29.550
flat angles C4'-P-C4' energy: -25.967
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -146.894223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.894223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.894223 (E_RNA)
where:
Base-Base interactions energy: -48.780
where: short stacking energy: -36.653
Base-Backbone interact. energy: -0.158
local terms energy: -97.956138
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -25.475
tors. eta vs tors. theta energy: 2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -523.010111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.010111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.010111 (E_RNA)
where:
Base-Base interactions energy: -346.087
where: short stacking energy: -140.123
Base-Backbone interact. energy: -0.497
local terms energy: -176.426453
where:
bonds (distance) C4'-P energy: -33.437
bonds (distance) P-C4' energy: -38.218
flat angles C4'-P-C4' energy: -38.174
flat angles P-C4'-P energy: -21.890
tors. eta vs tors. theta energy: -44.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -501.177170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.177170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.177170 (E_RNA)
where:
Base-Base interactions energy: -323.143
where: short stacking energy: -147.328
Base-Backbone interact. energy: -0.097
local terms energy: -177.936750
where:
bonds (distance) C4'-P energy: -36.082
bonds (distance) P-C4' energy: -38.301
flat angles C4'-P-C4' energy: -30.778
flat angles P-C4'-P energy: -24.946
tors. eta vs tors. theta energy: -47.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -499.576014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.576014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.576014 (E_RNA)
where:
Base-Base interactions energy: -338.429
where: short stacking energy: -143.453
Base-Backbone interact. energy: -0.978
local terms energy: -160.168582
where:
bonds (distance) C4'-P energy: -31.874
bonds (distance) P-C4' energy: -33.274
flat angles C4'-P-C4' energy: -31.297
flat angles P-C4'-P energy: -23.755
tors. eta vs tors. theta energy: -39.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -469.761536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.761536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.761536 (E_RNA)
where:
Base-Base interactions energy: -315.255
where: short stacking energy: -137.427
Base-Backbone interact. energy: -0.552
local terms energy: -153.954167
where:
bonds (distance) C4'-P energy: -30.985
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -33.148
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -44.610
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: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -405.059404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.059404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.059404 (E_RNA)
where:
Base-Base interactions energy: -268.128
where: short stacking energy: -97.150
Base-Backbone interact. energy: -1.005
local terms energy: -135.925849
where:
bonds (distance) C4'-P energy: -31.707
bonds (distance) P-C4' energy: -38.600
flat angles C4'-P-C4' energy: -28.777
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -25.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -442.665586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.665586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.665586 (E_RNA)
where:
Base-Base interactions energy: -284.380
where: short stacking energy: -122.324
Base-Backbone interact. energy: -0.151
local terms energy: -158.134560
where:
bonds (distance) C4'-P energy: -28.440
bonds (distance) P-C4' energy: -34.831
flat angles C4'-P-C4' energy: -35.038
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -41.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -291.995537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.995537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.995537 (E_RNA)
where:
Base-Base interactions energy: -170.369
where: short stacking energy: -88.640
Base-Backbone interact. energy: -1.167
local terms energy: -120.459238
where:
bonds (distance) C4'-P energy: -33.497
bonds (distance) P-C4' energy: -30.677
flat angles C4'-P-C4' energy: -25.035
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -162.002269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.002269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.002269 (E_RNA)
where:
Base-Base interactions energy: -51.664
where: short stacking energy: -39.558
Base-Backbone interact. energy: -0.571
local terms energy: -109.767808
where:
bonds (distance) C4'-P energy: -34.012
bonds (distance) P-C4' energy: -32.926
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -24.654
tors. eta vs tors. theta energy: 4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -158.706540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.706540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.706540 (E_RNA)
where:
Base-Base interactions energy: -57.692
where: short stacking energy: -30.938
Base-Backbone interact. energy: -0.400
local terms energy: -100.614176
where:
bonds (distance) C4'-P energy: -26.732
bonds (distance) P-C4' energy: -34.119
flat angles C4'-P-C4' energy: -29.216
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: 3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -148.964275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.964275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.964275 (E_RNA)
where:
Base-Base interactions energy: -53.474
where: short stacking energy: -36.286
Base-Backbone interact. energy: -0.326
local terms energy: -95.164612
where:
bonds (distance) C4'-P energy: -30.223
bonds (distance) P-C4' energy: -35.350
flat angles C4'-P-C4' energy: -28.617
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: 5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -531.381936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.381936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.381936 (E_RNA)
where:
Base-Base interactions energy: -355.796
where: short stacking energy: -154.039
Base-Backbone interact. energy: 2.106
local terms energy: -177.692713
where:
bonds (distance) C4'-P energy: -39.608
bonds (distance) P-C4' energy: -29.269
flat angles C4'-P-C4' energy: -39.193
flat angles P-C4'-P energy: -22.794
tors. eta vs tors. theta energy: -46.829
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: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -500.643217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.643217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.643217 (E_RNA)
where:
Base-Base interactions energy: -330.442
where: short stacking energy: -151.790
Base-Backbone interact. energy: -0.842
local terms energy: -169.359087
where:
bonds (distance) C4'-P energy: -31.320
bonds (distance) P-C4' energy: -32.690
flat angles C4'-P-C4' energy: -39.806
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: -45.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -498.956619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.956619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.956619 (E_RNA)
where:
Base-Base interactions energy: -329.093
where: short stacking energy: -132.430
Base-Backbone interact. energy: 0.132
local terms energy: -169.996130
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -35.045
flat angles C4'-P-C4' energy: -31.299
flat angles P-C4'-P energy: -29.128
tors. eta vs tors. theta energy: -41.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -466.378662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.378662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.378662 (E_RNA)
where:
Base-Base interactions energy: -304.586
where: short stacking energy: -126.229
Base-Backbone interact. energy: -0.395
local terms energy: -161.397582
where:
bonds (distance) C4'-P energy: -34.409
bonds (distance) P-C4' energy: -32.152
flat angles C4'-P-C4' energy: -31.481
flat angles P-C4'-P energy: -25.955
tors. eta vs tors. theta energy: -37.400
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: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -406.827952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.827952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.827952 (E_RNA)
where:
Base-Base interactions energy: -249.159
where: short stacking energy: -85.501
Base-Backbone interact. energy: -1.030
local terms energy: -156.639519
where:
bonds (distance) C4'-P energy: -37.558
bonds (distance) P-C4' energy: -37.513
flat angles C4'-P-C4' energy: -35.808
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -23.193
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: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -442.179339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.179339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.179339 (E_RNA)
where:
Base-Base interactions energy: -281.873
where: short stacking energy: -135.611
Base-Backbone interact. energy: -0.011
local terms energy: -160.295255
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -36.421
flat angles C4'-P-C4' energy: -31.733
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -50.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -260.820364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.820364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.820364 (E_RNA)
where:
Base-Base interactions energy: -134.303
where: short stacking energy: -81.649
Base-Backbone interact. energy: -0.297
local terms energy: -126.220020
where:
bonds (distance) C4'-P energy: -33.679
bonds (distance) P-C4' energy: -26.755
flat angles C4'-P-C4' energy: -26.578
flat angles P-C4'-P energy: -26.591
tors. eta vs tors. theta energy: -12.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -176.833327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.833327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.833327 (E_RNA)
where:
Base-Base interactions energy: -55.219
where: short stacking energy: -46.620
Base-Backbone interact. energy: 0.546
local terms energy: -122.160922
where:
bonds (distance) C4'-P energy: -33.794
bonds (distance) P-C4' energy: -26.157
flat angles C4'-P-C4' energy: -26.903
flat angles P-C4'-P energy: -24.294
tors. eta vs tors. theta energy: -11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -158.665645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.665645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.665645 (E_RNA)
where:
Base-Base interactions energy: -48.262
where: short stacking energy: -44.747
Base-Backbone interact. energy: 2.600
local terms energy: -113.003135
where:
bonds (distance) C4'-P energy: -31.488
bonds (distance) P-C4' energy: -37.127
flat angles C4'-P-C4' energy: -24.813
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -153.140980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.140980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.140980 (E_RNA)
where:
Base-Base interactions energy: -51.373
where: short stacking energy: -50.108
Base-Backbone interact. energy: -0.997
local terms energy: -100.771567
where:
bonds (distance) C4'-P energy: -29.457
bonds (distance) P-C4' energy: -31.270
flat angles C4'-P-C4' energy: -26.540
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -531.576708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.576708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.576708 (E_RNA)
where:
Base-Base interactions energy: -358.538
where: short stacking energy: -138.465
Base-Backbone interact. energy: 0.241
local terms energy: -173.280143
where:
bonds (distance) C4'-P energy: -39.529
bonds (distance) P-C4' energy: -28.156
flat angles C4'-P-C4' energy: -34.201
flat angles P-C4'-P energy: -23.966
tors. eta vs tors. theta energy: -47.429
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: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -504.060892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.060892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.060892 (E_RNA)
where:
Base-Base interactions energy: -327.488
where: short stacking energy: -139.694
Base-Backbone interact. energy: -0.629
local terms energy: -175.944133
where:
bonds (distance) C4'-P energy: -31.737
bonds (distance) P-C4' energy: -37.734
flat angles C4'-P-C4' energy: -31.525
flat angles P-C4'-P energy: -25.156
tors. eta vs tors. theta energy: -49.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -474.721481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.721481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.721481 (E_RNA)
where:
Base-Base interactions energy: -306.671
where: short stacking energy: -145.886
Base-Backbone interact. energy: -0.462
local terms energy: -167.587999
where:
bonds (distance) C4'-P energy: -33.796
bonds (distance) P-C4' energy: -28.483
flat angles C4'-P-C4' energy: -42.701
flat angles P-C4'-P energy: -21.756
tors. eta vs tors. theta energy: -40.851
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: 4, replica: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -465.368630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.368630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.368630 (E_RNA)
where:
Base-Base interactions energy: -307.819
where: short stacking energy: -137.978
Base-Backbone interact. energy: -1.067
local terms energy: -156.482548
where:
bonds (distance) C4'-P energy: -29.503
bonds (distance) P-C4' energy: -29.426
flat angles C4'-P-C4' energy: -33.494
flat angles P-C4'-P energy: -28.276
tors. eta vs tors. theta energy: -35.785
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: 388
Temperature: 1.100000
Total energy: -458.888476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.888476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.888476 (E_RNA)
where:
Base-Base interactions energy: -298.792
where: short stacking energy: -129.660
Base-Backbone interact. energy: -0.984
local terms energy: -159.112352
where:
bonds (distance) C4'-P energy: -27.249
bonds (distance) P-C4' energy: -22.900
flat angles C4'-P-C4' energy: -37.149
flat angles P-C4'-P energy: -30.010
tors. eta vs tors. theta energy: -41.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -394.288451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.288451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.288451 (E_RNA)
where:
Base-Base interactions energy: -273.552
where: short stacking energy: -117.109
Base-Backbone interact. energy: -1.070
local terms energy: -119.666411
where:
bonds (distance) C4'-P energy: -25.942
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -24.996
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -31.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -301.859501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.859501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.859501 (E_RNA)
where:
Base-Base interactions energy: -163.507
where: short stacking energy: -77.641
Base-Backbone interact. energy: -0.409
local terms energy: -137.943875
where:
bonds (distance) C4'-P energy: -28.148
bonds (distance) P-C4' energy: -34.936
flat angles C4'-P-C4' energy: -33.752
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -18.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -172.942813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.942813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.942813 (E_RNA)
where:
Base-Base interactions energy: -76.639
where: short stacking energy: -53.716
Base-Backbone interact. energy: 2.560
local terms energy: -98.863913
where:
bonds (distance) C4'-P energy: -28.380
bonds (distance) P-C4' energy: -33.312
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: 1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -154.180816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.180816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.180816 (E_RNA)
where:
Base-Base interactions energy: -50.842
where: short stacking energy: -51.985
Base-Backbone interact. energy: -0.665
local terms energy: -102.673629
where:
bonds (distance) C4'-P energy: -29.516
bonds (distance) P-C4' energy: -32.016
flat angles C4'-P-C4' energy: -33.478
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: 3.965
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: 10, replica: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -153.777267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.777267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.777267 (E_RNA)
where:
Base-Base interactions energy: -51.462
where: short stacking energy: -40.116
Base-Backbone interact. energy: -1.602
local terms energy: -100.713416
where:
bonds (distance) C4'-P energy: -34.835
bonds (distance) P-C4' energy: -36.760
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: 0.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -529.885666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.885666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.885666 (E_RNA)
where:
Base-Base interactions energy: -354.393
where: short stacking energy: -151.406
Base-Backbone interact. energy: -0.404
local terms energy: -175.089023
where:
bonds (distance) C4'-P energy: -32.177
bonds (distance) P-C4' energy: -36.986
flat angles C4'-P-C4' energy: -34.339
flat angles P-C4'-P energy: -22.927
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: 2, replica: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -489.082295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.082295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.082295 (E_RNA)
where:
Base-Base interactions energy: -315.658
where: short stacking energy: -147.178
Base-Backbone interact. energy: 1.020
local terms energy: -174.444556
where:
bonds (distance) C4'-P energy: -35.928
bonds (distance) P-C4' energy: -40.963
flat angles C4'-P-C4' energy: -31.558
flat angles P-C4'-P energy: -25.086
tors. eta vs tors. theta energy: -40.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -472.124584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.124584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.124584 (E_RNA)
where:
Base-Base interactions energy: -294.531
where: short stacking energy: -146.762
Base-Backbone interact. energy: -0.249
local terms energy: -177.344367
where:
bonds (distance) C4'-P energy: -35.241
bonds (distance) P-C4' energy: -35.264
flat angles C4'-P-C4' energy: -39.756
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: -44.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -460.615083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.615083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.615083 (E_RNA)
where:
Base-Base interactions energy: -308.651
where: short stacking energy: -131.409
Base-Backbone interact. energy: -0.299
local terms energy: -151.664513
where:
bonds (distance) C4'-P energy: -32.230
bonds (distance) P-C4' energy: -36.389
flat angles C4'-P-C4' energy: -31.902
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: -30.222
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: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -447.075185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.075185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.075185 (E_RNA)
where:
Base-Base interactions energy: -286.439
where: short stacking energy: -119.079
Base-Backbone interact. energy: -0.185
local terms energy: -160.450998
where:
bonds (distance) C4'-P energy: -28.012
bonds (distance) P-C4' energy: -31.009
flat angles C4'-P-C4' energy: -37.100
flat angles P-C4'-P energy: -20.930
tors. eta vs tors. theta energy: -43.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -404.162163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.162163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.162163 (E_RNA)
where:
Base-Base interactions energy: -254.706
where: short stacking energy: -116.810
Base-Backbone interact. energy: -0.547
local terms energy: -148.909951
where:
bonds (distance) C4'-P energy: -32.865
bonds (distance) P-C4' energy: -30.643
flat angles C4'-P-C4' energy: -26.334
flat angles P-C4'-P energy: -24.646
tors. eta vs tors. theta energy: -34.423
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: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -284.581494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.581494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.581494 (E_RNA)
where:
Base-Base interactions energy: -161.398
where: short stacking energy: -74.754
Base-Backbone interact. energy: -0.442
local terms energy: -122.742385
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -32.033
flat angles C4'-P-C4' energy: -33.045
flat angles P-C4'-P energy: -19.199
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -184.031452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.031452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.031452 (E_RNA)
where:
Base-Base interactions energy: -65.058
where: short stacking energy: -49.490
Base-Backbone interact. energy: -0.586
local terms energy: -118.387929
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -37.100
flat angles C4'-P-C4' energy: -32.707
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -8.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -160.831862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.831862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.831862 (E_RNA)
where:
Base-Base interactions energy: -57.012
where: short stacking energy: -39.958
Base-Backbone interact. energy: -0.243
local terms energy: -103.576085
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -28.663
flat angles C4'-P-C4' energy: -29.026
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -5.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -147.384660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.384660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.384660 (E_RNA)
where:
Base-Base interactions energy: -43.998
where: short stacking energy: -31.814
Base-Backbone interact. energy: -0.474
local terms energy: -102.912671
where:
bonds (distance) C4'-P energy: -30.455
bonds (distance) P-C4' energy: -23.761
flat angles C4'-P-C4' energy: -27.605
flat angles P-C4'-P energy: -19.520
tors. eta vs tors. theta energy: -1.571
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: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -533.394708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.394708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.394708 (E_RNA)
where:
Base-Base interactions energy: -352.933
where: short stacking energy: -161.366
Base-Backbone interact. energy: -0.855
local terms energy: -179.607314
where:
bonds (distance) C4'-P energy: -25.785
bonds (distance) P-C4' energy: -34.769
flat angles C4'-P-C4' energy: -39.468
flat angles P-C4'-P energy: -28.248
tors. eta vs tors. theta energy: -51.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -479.843328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.843328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.843328 (E_RNA)
where:
Base-Base interactions energy: -307.995
where: short stacking energy: -140.498
Base-Backbone interact. energy: -0.442
local terms energy: -171.406331
where:
bonds (distance) C4'-P energy: -31.586
bonds (distance) P-C4' energy: -36.712
flat angles C4'-P-C4' energy: -36.244
flat angles P-C4'-P energy: -24.998
tors. eta vs tors. theta energy: -41.865
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: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -484.241959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.241959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.241959 (E_RNA)
where:
Base-Base interactions energy: -307.667
where: short stacking energy: -153.089
Base-Backbone interact. energy: -1.059
local terms energy: -175.515799
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -40.885
flat angles P-C4'-P energy: -27.415
tors. eta vs tors. theta energy: -52.591
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: 390
Temperature: 1.050000
Total energy: -454.082944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.082944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.082944 (E_RNA)
where:
Base-Base interactions energy: -299.983
where: short stacking energy: -123.302
Base-Backbone interact. energy: -0.898
local terms energy: -153.201969
where:
bonds (distance) C4'-P energy: -31.777
bonds (distance) P-C4' energy: -34.829
flat angles C4'-P-C4' energy: -30.193
flat angles P-C4'-P energy: -25.956
tors. eta vs tors. theta energy: -30.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -460.606404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.606404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.606404 (E_RNA)
where:
Base-Base interactions energy: -295.481
where: short stacking energy: -131.473
Base-Backbone interact. energy: -0.537
local terms energy: -164.588588
where:
bonds (distance) C4'-P energy: -33.652
bonds (distance) P-C4' energy: -31.891
flat angles C4'-P-C4' energy: -34.777
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -46.306
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: 6, replica: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -420.608830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.608830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.608830 (E_RNA)
where:
Base-Base interactions energy: -260.414
where: short stacking energy: -117.773
Base-Backbone interact. energy: -1.290
local terms energy: -158.904949
where:
bonds (distance) C4'-P energy: -32.829
bonds (distance) P-C4' energy: -37.919
flat angles C4'-P-C4' energy: -35.846
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -36.995
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: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -280.012219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.012219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.012219 (E_RNA)
where:
Base-Base interactions energy: -142.673
where: short stacking energy: -80.642
Base-Backbone interact. energy: 0.745
local terms energy: -138.084356
where:
bonds (distance) C4'-P energy: -33.001
bonds (distance) P-C4' energy: -35.267
flat angles C4'-P-C4' energy: -28.207
flat angles P-C4'-P energy: -21.145
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -170.377895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.377895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.377895 (E_RNA)
where:
Base-Base interactions energy: -58.457
where: short stacking energy: -36.851
Base-Backbone interact. energy: 0.587
local terms energy: -112.507299
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -40.491
flat angles C4'-P-C4' energy: -31.751
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -157.712848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.712848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.712848 (E_RNA)
where:
Base-Base interactions energy: -53.691
where: short stacking energy: -43.851
Base-Backbone interact. energy: -0.007
local terms energy: -104.015298
where:
bonds (distance) C4'-P energy: -23.358
bonds (distance) P-C4' energy: -29.334
flat angles C4'-P-C4' energy: -35.458
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: 1.995
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: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -144.574411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.574411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.574411 (E_RNA)
where:
Base-Base interactions energy: -50.575
where: short stacking energy: -34.261
Base-Backbone interact. energy: 2.340
local terms energy: -96.338756
where:
bonds (distance) C4'-P energy: -29.682
bonds (distance) P-C4' energy: -37.015
flat angles C4'-P-C4' energy: -27.898
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: 12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -548.573084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.573084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.573084 (E_RNA)
where:
Base-Base interactions energy: -358.933
where: short stacking energy: -164.903
Base-Backbone interact. energy: -0.095
local terms energy: -189.545040
where:
bonds (distance) C4'-P energy: -35.626
bonds (distance) P-C4' energy: -34.641
flat angles C4'-P-C4' energy: -37.415
flat angles P-C4'-P energy: -25.354
tors. eta vs tors. theta energy: -56.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -513.814528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.814528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.814528 (E_RNA)
where:
Base-Base interactions energy: -334.886
where: short stacking energy: -153.954
Base-Backbone interact. energy: -0.088
local terms energy: -178.840414
where:
bonds (distance) C4'-P energy: -37.063
bonds (distance) P-C4' energy: -33.106
flat angles C4'-P-C4' energy: -36.416
flat angles P-C4'-P energy: -21.916
tors. eta vs tors. theta energy: -50.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -485.640460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.640460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.640460 (E_RNA)
where:
Base-Base interactions energy: -324.711
where: short stacking energy: -139.581
Base-Backbone interact. energy: 0.816
local terms energy: -161.746006
where:
bonds (distance) C4'-P energy: -32.555
bonds (distance) P-C4' energy: -34.785
flat angles C4'-P-C4' energy: -33.991
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -42.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -471.911022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.911022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.911022 (E_RNA)
where:
Base-Base interactions energy: -316.481
where: short stacking energy: -131.523
Base-Backbone interact. energy: 1.229
local terms energy: -156.658649
where:
bonds (distance) C4'-P energy: -29.669
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -38.952
flat angles P-C4'-P energy: -24.654
tors. eta vs tors. theta energy: -38.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -470.369641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.369641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.369641 (E_RNA)
where:
Base-Base interactions energy: -302.392
where: short stacking energy: -135.948
Base-Backbone interact. energy: -1.296
local terms energy: -166.682234
where:
bonds (distance) C4'-P energy: -29.404
bonds (distance) P-C4' energy: -30.364
flat angles C4'-P-C4' energy: -36.525
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: -49.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -411.278022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.278022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.278022 (E_RNA)
where:
Base-Base interactions energy: -267.437
where: short stacking energy: -107.760
Base-Backbone interact. energy: -0.797
local terms energy: -143.043608
where:
bonds (distance) C4'-P energy: -27.807
bonds (distance) P-C4' energy: -36.711
flat angles C4'-P-C4' energy: -26.040
flat angles P-C4'-P energy: -23.956
tors. eta vs tors. theta energy: -28.530
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: 391
Temperature: 1.200000
Total energy: -255.654300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.654300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.654300 (E_RNA)
where:
Base-Base interactions energy: -141.839
where: short stacking energy: -69.090
Base-Backbone interact. energy: -0.460
local terms energy: -113.355802
where:
bonds (distance) C4'-P energy: -36.472
bonds (distance) P-C4' energy: -27.228
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -12.916
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: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -188.129184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.129184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.129184 (E_RNA)
where:
Base-Base interactions energy: -73.040
where: short stacking energy: -50.916
Base-Backbone interact. energy: -0.441
local terms energy: -114.647965
where:
bonds (distance) C4'-P energy: -33.754
bonds (distance) P-C4' energy: -33.145
flat angles C4'-P-C4' energy: -28.327
flat angles P-C4'-P energy: -19.268
tors. eta vs tors. theta energy: -0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -150.695104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.695104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.695104 (E_RNA)
where:
Base-Base interactions energy: -46.811
where: short stacking energy: -45.560
Base-Backbone interact. energy: -0.600
local terms energy: -103.285009
where:
bonds (distance) C4'-P energy: -30.481
bonds (distance) P-C4' energy: -31.579
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -23.728
tors. eta vs tors. theta energy: 0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -151.823423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.823423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.823423 (E_RNA)
where:
Base-Base interactions energy: -60.455
where: short stacking energy: -38.575
Base-Backbone interact. energy: -1.444
local terms energy: -89.924173
where:
bonds (distance) C4'-P energy: -30.491
bonds (distance) P-C4' energy: -25.908
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: 3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -533.252603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.252603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.252603 (E_RNA)
where:
Base-Base interactions energy: -338.837
where: short stacking energy: -165.517
Base-Backbone interact. energy: -0.434
local terms energy: -193.981989
where:
bonds (distance) C4'-P energy: -35.999
bonds (distance) P-C4' energy: -35.049
flat angles C4'-P-C4' energy: -39.574
flat angles P-C4'-P energy: -31.247
tors. eta vs tors. theta energy: -52.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -523.683216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.683216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.683216 (E_RNA)
where:
Base-Base interactions energy: -342.740
where: short stacking energy: -154.379
Base-Backbone interact. energy: -0.007
local terms energy: -180.936682
where:
bonds (distance) C4'-P energy: -34.375
bonds (distance) P-C4' energy: -33.770
flat angles C4'-P-C4' energy: -39.058
flat angles P-C4'-P energy: -26.143
tors. eta vs tors. theta energy: -47.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -471.079221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.079221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.079221 (E_RNA)
where:
Base-Base interactions energy: -299.856
where: short stacking energy: -125.793
Base-Backbone interact. energy: -1.236
local terms energy: -169.987114
where:
bonds (distance) C4'-P energy: -32.955
bonds (distance) P-C4' energy: -32.220
flat angles C4'-P-C4' energy: -41.353
flat angles P-C4'-P energy: -30.169
tors. eta vs tors. theta energy: -33.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -485.684832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.684832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.684832 (E_RNA)
where:
Base-Base interactions energy: -311.583
where: short stacking energy: -132.617
Base-Backbone interact. energy: -1.111
local terms energy: -172.991136
where:
bonds (distance) C4'-P energy: -35.325
bonds (distance) P-C4' energy: -35.672
flat angles C4'-P-C4' energy: -31.975
flat angles P-C4'-P energy: -26.154
tors. eta vs tors. theta energy: -43.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -477.789446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.789446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.789446 (E_RNA)
where:
Base-Base interactions energy: -308.962
where: short stacking energy: -142.163
Base-Backbone interact. energy: -0.109
local terms energy: -168.717884
where:
bonds (distance) C4'-P energy: -25.775
bonds (distance) P-C4' energy: -38.085
flat angles C4'-P-C4' energy: -36.451
flat angles P-C4'-P energy: -18.393
tors. eta vs tors. theta energy: -50.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -413.867763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.867763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.867763 (E_RNA)
where:
Base-Base interactions energy: -261.070
where: short stacking energy: -102.388
Base-Backbone interact. energy: -0.058
local terms energy: -152.740591
where:
bonds (distance) C4'-P energy: -30.224
bonds (distance) P-C4' energy: -35.017
flat angles C4'-P-C4' energy: -31.953
flat angles P-C4'-P energy: -20.597
tors. eta vs tors. theta energy: -34.949
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: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -230.179905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.179905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.179905 (E_RNA)
where:
Base-Base interactions energy: -109.025
where: short stacking energy: -62.443
Base-Backbone interact. energy: -0.229
local terms energy: -120.926219
where:
bonds (distance) C4'-P energy: -27.612
bonds (distance) P-C4' energy: -32.705
flat angles C4'-P-C4' energy: -26.787
flat angles P-C4'-P energy: -23.478
tors. eta vs tors. theta energy: -10.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -200.725597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.725597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.725597 (E_RNA)
where:
Base-Base interactions energy: -92.551
where: short stacking energy: -55.063
Base-Backbone interact. energy: -0.766
local terms energy: -107.408395
where:
bonds (distance) C4'-P energy: -36.876
bonds (distance) P-C4' energy: -27.397
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -25.172
tors. eta vs tors. theta energy: 3.797
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: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -156.191707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.191707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.191707 (E_RNA)
where:
Base-Base interactions energy: -54.195
where: short stacking energy: -37.845
Base-Backbone interact. energy: -0.587
local terms energy: -101.408933
where:
bonds (distance) C4'-P energy: -28.314
bonds (distance) P-C4' energy: -31.563
flat angles C4'-P-C4' energy: -33.243
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: 4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -144.541111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.541111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.541111 (E_RNA)
where:
Base-Base interactions energy: -56.665
where: short stacking energy: -37.058
Base-Backbone interact. energy: -0.315
local terms energy: -87.560423
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -30.726
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: 1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -526.278344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.278344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.278344 (E_RNA)
where:
Base-Base interactions energy: -336.520
where: short stacking energy: -151.276
Base-Backbone interact. energy: -1.114
local terms energy: -188.644014
where:
bonds (distance) C4'-P energy: -32.287
bonds (distance) P-C4' energy: -38.459
flat angles C4'-P-C4' energy: -41.372
flat angles P-C4'-P energy: -26.897
tors. eta vs tors. theta energy: -49.629
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: 9
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -530.562468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.562468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.562468 (E_RNA)
where:
Base-Base interactions energy: -347.698
where: short stacking energy: -159.281
Base-Backbone interact. energy: -0.325
local terms energy: -182.540062
where:
bonds (distance) C4'-P energy: -37.809
bonds (distance) P-C4' energy: -31.290
flat angles C4'-P-C4' energy: -36.560
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -58.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -460.633786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.633786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.633786 (E_RNA)
where:
Base-Base interactions energy: -305.993
where: short stacking energy: -128.687
Base-Backbone interact. energy: -0.715
local terms energy: -153.926357
where:
bonds (distance) C4'-P energy: -32.271
bonds (distance) P-C4' energy: -33.993
flat angles C4'-P-C4' energy: -32.694
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -36.273
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: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -473.055154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.055154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.055154 (E_RNA)
where:
Base-Base interactions energy: -308.032
where: short stacking energy: -122.246
Base-Backbone interact. energy: 1.762
local terms energy: -166.784830
where:
bonds (distance) C4'-P energy: -28.259
bonds (distance) P-C4' energy: -35.429
flat angles C4'-P-C4' energy: -33.681
flat angles P-C4'-P energy: -24.901
tors. eta vs tors. theta energy: -44.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -459.538542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.538542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.538542 (E_RNA)
where:
Base-Base interactions energy: -293.249
where: short stacking energy: -134.735
Base-Backbone interact. energy: -0.043
local terms energy: -166.245950
where:
bonds (distance) C4'-P energy: -25.404
bonds (distance) P-C4' energy: -36.789
flat angles C4'-P-C4' energy: -34.179
flat angles P-C4'-P energy: -22.105
tors. eta vs tors. theta energy: -47.768
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: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -404.034326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.034326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.034326 (E_RNA)
where:
Base-Base interactions energy: -258.325
where: short stacking energy: -102.987
Base-Backbone interact. energy: -0.416
local terms energy: -145.293299
where:
bonds (distance) C4'-P energy: -25.306
bonds (distance) P-C4' energy: -34.685
flat angles C4'-P-C4' energy: -34.878
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -32.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -184.927948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.927948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.927948 (E_RNA)
where:
Base-Base interactions energy: -84.293
where: short stacking energy: -49.562
Base-Backbone interact. energy: -1.270
local terms energy: -99.364149
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -33.753
flat angles C4'-P-C4' energy: -31.665
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: 3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -177.182382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.182382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.182382 (E_RNA)
where:
Base-Base interactions energy: -70.658
where: short stacking energy: -54.455
Base-Backbone interact. energy: -0.551
local terms energy: -105.972683
where:
bonds (distance) C4'-P energy: -25.609
bonds (distance) P-C4' energy: -30.996
flat angles C4'-P-C4' energy: -29.342
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -159.876028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.876028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.876028 (E_RNA)
where:
Base-Base interactions energy: -46.046
where: short stacking energy: -46.246
Base-Backbone interact. energy: 5.100
local terms energy: -118.929724
where:
bonds (distance) C4'-P energy: -26.414
bonds (distance) P-C4' energy: -26.606
flat angles C4'-P-C4' energy: -32.789
flat angles P-C4'-P energy: -23.221
tors. eta vs tors. theta energy: -9.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -150.183662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.183662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.183662 (E_RNA)
where:
Base-Base interactions energy: -58.237
where: short stacking energy: -49.782
Base-Backbone interact. energy: 0.797
local terms energy: -92.744237
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -21.371
flat angles C4'-P-C4' energy: -26.168
flat angles P-C4'-P energy: -17.854
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: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -559.067557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.067557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.067557 (E_RNA)
where:
Base-Base interactions energy: -355.394
where: short stacking energy: -159.639
Base-Backbone interact. energy: 2.073
local terms energy: -205.746895
where:
bonds (distance) C4'-P energy: -36.492
bonds (distance) P-C4' energy: -42.314
flat angles C4'-P-C4' energy: -41.927
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -56.750
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: 394
Temperature: 0.950000
Total energy: -510.892741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.892741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.892741 (E_RNA)
where:
Base-Base interactions energy: -329.002
where: short stacking energy: -155.273
Base-Backbone interact. energy: 0.256
local terms energy: -182.145986
where:
bonds (distance) C4'-P energy: -38.586
bonds (distance) P-C4' energy: -31.570
flat angles C4'-P-C4' energy: -39.504
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -49.835
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: 6
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -509.796147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.796147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.796147 (E_RNA)
where:
Base-Base interactions energy: -334.051
where: short stacking energy: -161.514
Base-Backbone interact. energy: -0.744
local terms energy: -175.000408
where:
bonds (distance) C4'-P energy: -30.374
bonds (distance) P-C4' energy: -35.381
flat angles C4'-P-C4' energy: -31.357
flat angles P-C4'-P energy: -26.493
tors. eta vs tors. theta energy: -51.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -449.332227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.332227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.332227 (E_RNA)
where:
Base-Base interactions energy: -283.492
where: short stacking energy: -136.090
Base-Backbone interact. energy: -1.037
local terms energy: -164.803224
where:
bonds (distance) C4'-P energy: -30.571
bonds (distance) P-C4' energy: -34.824
flat angles C4'-P-C4' energy: -39.386
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -41.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -470.226226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.226226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.226226 (E_RNA)
where:
Base-Base interactions energy: -293.545
where: short stacking energy: -150.619
Base-Backbone interact. energy: -0.606
local terms energy: -176.075759
where:
bonds (distance) C4'-P energy: -28.413
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -41.743
flat angles P-C4'-P energy: -31.063
tors. eta vs tors. theta energy: -52.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -396.019048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.019048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.019048 (E_RNA)
where:
Base-Base interactions energy: -260.566
where: short stacking energy: -109.564
Base-Backbone interact. energy: -0.598
local terms energy: -134.854368
where:
bonds (distance) C4'-P energy: -34.422
bonds (distance) P-C4' energy: -33.746
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -30.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -181.187527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.187527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.187527 (E_RNA)
where:
Base-Base interactions energy: -76.892
where: short stacking energy: -47.999
Base-Backbone interact. energy: 2.525
local terms energy: -106.820574
where:
bonds (distance) C4'-P energy: -35.141
bonds (distance) P-C4' energy: -26.370
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -27.139
tors. eta vs tors. theta energy: 2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -185.198702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.198702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.198702 (E_RNA)
where:
Base-Base interactions energy: -79.397
where: short stacking energy: -57.408
Base-Backbone interact. energy: 0.720
local terms energy: -106.522064
where:
bonds (distance) C4'-P energy: -20.311
bonds (distance) P-C4' energy: -36.260
flat angles C4'-P-C4' energy: -30.127
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -169.169281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.169281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.169281 (E_RNA)
where:
Base-Base interactions energy: -62.722
where: short stacking energy: -48.681
Base-Backbone interact. energy: 3.079
local terms energy: -109.526286
where:
bonds (distance) C4'-P energy: -32.687
bonds (distance) P-C4' energy: -37.804
flat angles C4'-P-C4' energy: -26.442
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: 0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -142.817330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.817330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.817330 (E_RNA)
where:
Base-Base interactions energy: -46.144
where: short stacking energy: -40.522
Base-Backbone interact. energy: 2.953
local terms energy: -99.626730
where:
bonds (distance) C4'-P energy: -31.491
bonds (distance) P-C4' energy: -26.656
flat angles C4'-P-C4' energy: -28.874
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: 1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -566.858584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.858584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.858584 (E_RNA)
where:
Base-Base interactions energy: -372.894
where: short stacking energy: -171.012
Base-Backbone interact. energy: -0.032
local terms energy: -193.932555
where:
bonds (distance) C4'-P energy: -37.842
bonds (distance) P-C4' energy: -29.848
flat angles C4'-P-C4' energy: -38.003
flat angles P-C4'-P energy: -30.696
tors. eta vs tors. theta energy: -57.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -512.475094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.475094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.475094 (E_RNA)
where:
Base-Base interactions energy: -322.618
where: short stacking energy: -148.836
Base-Backbone interact. energy: -0.940
local terms energy: -188.917363
where:
bonds (distance) C4'-P energy: -38.447
bonds (distance) P-C4' energy: -39.599
flat angles C4'-P-C4' energy: -35.296
flat angles P-C4'-P energy: -26.758
tors. eta vs tors. theta energy: -48.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -506.410164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.410164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.410164 (E_RNA)
where:
Base-Base interactions energy: -325.006
where: short stacking energy: -151.465
Base-Backbone interact. energy: -0.169
local terms energy: -181.235980
where:
bonds (distance) C4'-P energy: -36.693
bonds (distance) P-C4' energy: -34.335
flat angles C4'-P-C4' energy: -38.765
flat angles P-C4'-P energy: -23.814
tors. eta vs tors. theta energy: -47.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -449.416416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.416416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.416416 (E_RNA)
where:
Base-Base interactions energy: -287.111
where: short stacking energy: -132.190
Base-Backbone interact. energy: 1.407
local terms energy: -163.712755
where:
bonds (distance) C4'-P energy: -34.307
bonds (distance) P-C4' energy: -36.261
flat angles C4'-P-C4' energy: -34.320
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -43.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -446.914016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.914016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.914016 (E_RNA)
where:
Base-Base interactions energy: -279.816
where: short stacking energy: -122.973
Base-Backbone interact. energy: -2.659
local terms energy: -164.439562
where:
bonds (distance) C4'-P energy: -35.014
bonds (distance) P-C4' energy: -37.519
flat angles C4'-P-C4' energy: -32.704
flat angles P-C4'-P energy: -27.682
tors. eta vs tors. theta energy: -31.520
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: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -363.067272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.067272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.067272 (E_RNA)
where:
Base-Base interactions energy: -235.673
where: short stacking energy: -95.282
Base-Backbone interact. energy: -0.766
local terms energy: -126.628776
where:
bonds (distance) C4'-P energy: -31.932
bonds (distance) P-C4' energy: -27.769
flat angles C4'-P-C4' energy: -26.104
flat angles P-C4'-P energy: -19.357
tors. eta vs tors. theta energy: -21.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -214.271095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.271095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.271095 (E_RNA)
where:
Base-Base interactions energy: -109.169
where: short stacking energy: -65.209
Base-Backbone interact. energy: 0.746
local terms energy: -105.847157
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -33.632
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -16.383
tors. eta vs tors. theta energy: -5.578
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: 8, replica: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -180.812051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.812051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.812051 (E_RNA)
where:
Base-Base interactions energy: -74.124
where: short stacking energy: -45.828
Base-Backbone interact. energy: -0.978
local terms energy: -105.709991
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -36.747
flat angles C4'-P-C4' energy: -27.904
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -163.848343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.848343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.848343 (E_RNA)
where:
Base-Base interactions energy: -51.978
where: short stacking energy: -49.906
Base-Backbone interact. energy: 0.128
local terms energy: -111.998571
where:
bonds (distance) C4'-P energy: -31.962
bonds (distance) P-C4' energy: -36.757
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -175.205810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.205810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.205810 (E_RNA)
where:
Base-Base interactions energy: -60.470
where: short stacking energy: -55.469
Base-Backbone interact. energy: -0.425
local terms energy: -114.310765
where:
bonds (distance) C4'-P energy: -30.579
bonds (distance) P-C4' energy: -31.831
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -1.426
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: 9
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -561.701622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.701622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.701622 (E_RNA)
where:
Base-Base interactions energy: -367.213
where: short stacking energy: -185.547
Base-Backbone interact. energy: -0.096
local terms energy: -194.392020
where:
bonds (distance) C4'-P energy: -37.795
bonds (distance) P-C4' energy: -29.068
flat angles C4'-P-C4' energy: -39.495
flat angles P-C4'-P energy: -28.654
tors. eta vs tors. theta energy: -59.379
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: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -500.354477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.354477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.354477 (E_RNA)
where:
Base-Base interactions energy: -328.724
where: short stacking energy: -158.722
Base-Backbone interact. energy: -0.419
local terms energy: -171.211581
where:
bonds (distance) C4'-P energy: -29.973
bonds (distance) P-C4' energy: -30.913
flat angles C4'-P-C4' energy: -37.008
flat angles P-C4'-P energy: -29.139
tors. eta vs tors. theta energy: -44.178
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: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -525.541934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.541934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.541934 (E_RNA)
where:
Base-Base interactions energy: -343.952
where: short stacking energy: -160.443
Base-Backbone interact. energy: -0.070
local terms energy: -181.520218
where:
bonds (distance) C4'-P energy: -30.814
bonds (distance) P-C4' energy: -38.770
flat angles C4'-P-C4' energy: -38.991
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -54.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -454.747666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.747666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.747666 (E_RNA)
where:
Base-Base interactions energy: -297.705
where: short stacking energy: -133.839
Base-Backbone interact. energy: -0.839
local terms energy: -156.203877
where:
bonds (distance) C4'-P energy: -23.922
bonds (distance) P-C4' energy: -29.402
flat angles C4'-P-C4' energy: -37.504
flat angles P-C4'-P energy: -22.686
tors. eta vs tors. theta energy: -42.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -426.190359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.190359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.190359 (E_RNA)
where:
Base-Base interactions energy: -277.715
where: short stacking energy: -130.796
Base-Backbone interact. energy: -0.922
local terms energy: -147.552931
where:
bonds (distance) C4'-P energy: -31.380
bonds (distance) P-C4' energy: -29.651
flat angles C4'-P-C4' energy: -30.256
flat angles P-C4'-P energy: -23.830
tors. eta vs tors. theta energy: -32.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -366.017691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.017691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.017691 (E_RNA)
where:
Base-Base interactions energy: -233.037
where: short stacking energy: -99.372
Base-Backbone interact. energy: -0.727
local terms energy: -132.254202
where:
bonds (distance) C4'-P energy: -26.654
bonds (distance) P-C4' energy: -33.445
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -22.338
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -224.887923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.887923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.887923 (E_RNA)
where:
Base-Base interactions energy: -95.991
where: short stacking energy: -69.035
Base-Backbone interact. energy: -0.614
local terms energy: -128.283273
where:
bonds (distance) C4'-P energy: -31.730
bonds (distance) P-C4' energy: -31.403
flat angles C4'-P-C4' energy: -27.689
flat angles P-C4'-P energy: -26.523
tors. eta vs tors. theta energy: -10.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -159.277597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.277597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.277597 (E_RNA)
where:
Base-Base interactions energy: -61.394
where: short stacking energy: -47.909
Base-Backbone interact. energy: 3.727
local terms energy: -101.610473
where:
bonds (distance) C4'-P energy: -31.033
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -22.922
tors. eta vs tors. theta energy: -2.058
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: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -164.884548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.884548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.884548 (E_RNA)
where:
Base-Base interactions energy: -62.747
where: short stacking energy: -47.560
Base-Backbone interact. energy: 2.240
local terms energy: -104.377433
where:
bonds (distance) C4'-P energy: -33.319
bonds (distance) P-C4' energy: -35.458
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -15.048
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -153.497455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.497455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.497455 (E_RNA)
where:
Base-Base interactions energy: -42.468
where: short stacking energy: -39.701
Base-Backbone interact. energy: 2.158
local terms energy: -113.187688
where:
bonds (distance) C4'-P energy: -31.590
bonds (distance) P-C4' energy: -35.219
flat angles C4'-P-C4' energy: -30.699
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: 1.538
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: 1, replica: 9
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -541.230962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.230962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.230962 (E_RNA)
where:
Base-Base interactions energy: -349.833
where: short stacking energy: -165.765
Base-Backbone interact. energy: -0.021
local terms energy: -191.376464
where:
bonds (distance) C4'-P energy: -30.803
bonds (distance) P-C4' energy: -33.334
flat angles C4'-P-C4' energy: -40.228
flat angles P-C4'-P energy: -29.978
tors. eta vs tors. theta energy: -57.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -555.096640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.096640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.096640 (E_RNA)
where:
Base-Base interactions energy: -360.037
where: short stacking energy: -170.184
Base-Backbone interact. energy: -0.376
local terms energy: -194.684191
where:
bonds (distance) C4'-P energy: -33.687
bonds (distance) P-C4' energy: -34.261
flat angles C4'-P-C4' energy: -37.802
flat angles P-C4'-P energy: -31.796
tors. eta vs tors. theta energy: -57.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -512.075556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.075556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.075556 (E_RNA)
where:
Base-Base interactions energy: -337.547
where: short stacking energy: -150.074
Base-Backbone interact. energy: -0.704
local terms energy: -173.824599
where:
bonds (distance) C4'-P energy: -35.240
bonds (distance) P-C4' energy: -29.418
flat angles C4'-P-C4' energy: -37.448
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -48.337
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: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -458.420615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.420615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.420615 (E_RNA)
where:
Base-Base interactions energy: -290.482
where: short stacking energy: -146.499
Base-Backbone interact. energy: -1.119
local terms energy: -166.819380
where:
bonds (distance) C4'-P energy: -30.435
bonds (distance) P-C4' energy: -34.634
flat angles C4'-P-C4' energy: -35.719
flat angles P-C4'-P energy: -23.861
tors. eta vs tors. theta energy: -42.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -434.918627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.918627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.918627 (E_RNA)
where:
Base-Base interactions energy: -271.681
where: short stacking energy: -122.579
Base-Backbone interact. energy: 0.415
local terms energy: -163.653063
where:
bonds (distance) C4'-P energy: -37.196
bonds (distance) P-C4' energy: -34.146
flat angles C4'-P-C4' energy: -33.841
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: -33.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -371.927146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.927146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.927146 (E_RNA)
where:
Base-Base interactions energy: -238.478
where: short stacking energy: -89.794
Base-Backbone interact. energy: 0.945
local terms energy: -134.394396
where:
bonds (distance) C4'-P energy: -29.496
bonds (distance) P-C4' energy: -28.756
flat angles C4'-P-C4' energy: -34.903
flat angles P-C4'-P energy: -22.450
tors. eta vs tors. theta energy: -18.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -196.972779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.972779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.972779 (E_RNA)
where:
Base-Base interactions energy: -88.783
where: short stacking energy: -55.911
Base-Backbone interact. energy: 0.411
local terms energy: -108.601071
where:
bonds (distance) C4'-P energy: -32.286
bonds (distance) P-C4' energy: -34.245
flat angles C4'-P-C4' energy: -25.754
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -181.005932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.005932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.005932 (E_RNA)
where:
Base-Base interactions energy: -67.878
where: short stacking energy: -47.615
Base-Backbone interact. energy: 0.662
local terms energy: -113.789052
where:
bonds (distance) C4'-P energy: -29.454
bonds (distance) P-C4' energy: -37.001
flat angles C4'-P-C4' energy: -28.813
flat angles P-C4'-P energy: -18.049
tors. eta vs tors. theta energy: -0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -158.877268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.877268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.877268 (E_RNA)
where:
Base-Base interactions energy: -62.603
where: short stacking energy: -44.002
Base-Backbone interact. energy: -0.452
local terms energy: -95.822771
where:
bonds (distance) C4'-P energy: -28.001
bonds (distance) P-C4' energy: -30.740
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: 3.414
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: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -146.760182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.760182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.760182 (E_RNA)
where:
Base-Base interactions energy: -39.050
where: short stacking energy: -37.834
Base-Backbone interact. energy: -0.780
local terms energy: -106.930234
where:
bonds (distance) C4'-P energy: -33.355
bonds (distance) P-C4' energy: -26.220
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -20.793
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -564.996715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.996715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.996715 (E_RNA)
where:
Base-Base interactions energy: -367.269
where: short stacking energy: -172.908
Base-Backbone interact. energy: -0.117
local terms energy: -197.610389
where:
bonds (distance) C4'-P energy: -33.923
bonds (distance) P-C4' energy: -39.608
flat angles C4'-P-C4' energy: -41.484
flat angles P-C4'-P energy: -28.565
tors. eta vs tors. theta energy: -54.029
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: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -551.137647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.137647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.137647 (E_RNA)
where:
Base-Base interactions energy: -364.371
where: short stacking energy: -165.827
Base-Backbone interact. energy: -0.103
local terms energy: -186.663594
where:
bonds (distance) C4'-P energy: -35.592
bonds (distance) P-C4' energy: -31.663
flat angles C4'-P-C4' energy: -37.277
flat angles P-C4'-P energy: -26.655
tors. eta vs tors. theta energy: -55.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -508.895976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.895976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.895976 (E_RNA)
where:
Base-Base interactions energy: -343.132
where: short stacking energy: -161.105
Base-Backbone interact. energy: -0.166
local terms energy: -165.597990
where:
bonds (distance) C4'-P energy: -32.601
bonds (distance) P-C4' energy: -28.084
flat angles C4'-P-C4' energy: -30.785
flat angles P-C4'-P energy: -19.939
tors. eta vs tors. theta energy: -54.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -454.059396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.059396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.059396 (E_RNA)
where:
Base-Base interactions energy: -291.014
where: short stacking energy: -126.696
Base-Backbone interact. energy: -0.409
local terms energy: -162.636761
where:
bonds (distance) C4'-P energy: -30.213
bonds (distance) P-C4' energy: -32.579
flat angles C4'-P-C4' energy: -40.629
flat angles P-C4'-P energy: -20.575
tors. eta vs tors. theta energy: -38.641
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: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -436.780066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.780066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.780066 (E_RNA)
where:
Base-Base interactions energy: -285.385
where: short stacking energy: -125.916
Base-Backbone interact. energy: -0.374
local terms energy: -151.020717
where:
bonds (distance) C4'-P energy: -23.616
bonds (distance) P-C4' energy: -33.355
flat angles C4'-P-C4' energy: -38.577
flat angles P-C4'-P energy: -21.823
tors. eta vs tors. theta energy: -33.650
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: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -391.523545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.523545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.523545 (E_RNA)
where:
Base-Base interactions energy: -256.918
where: short stacking energy: -104.339
Base-Backbone interact. energy: -0.466
local terms energy: -134.139368
where:
bonds (distance) C4'-P energy: -25.058
bonds (distance) P-C4' energy: -34.906
flat angles C4'-P-C4' energy: -32.777
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -27.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -192.836503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.836503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.836503 (E_RNA)
where:
Base-Base interactions energy: -81.075
where: short stacking energy: -34.642
Base-Backbone interact. energy: -0.132
local terms energy: -111.629976
where:
bonds (distance) C4'-P energy: -34.053
bonds (distance) P-C4' energy: -32.279
flat angles C4'-P-C4' energy: -40.581
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: 4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -181.210883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.210883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.210883 (E_RNA)
where:
Base-Base interactions energy: -76.365
where: short stacking energy: -25.982
Base-Backbone interact. energy: 0.854
local terms energy: -105.699153
where:
bonds (distance) C4'-P energy: -26.075
bonds (distance) P-C4' energy: -31.860
flat angles C4'-P-C4' energy: -22.059
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -5.009
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: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -172.680300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.680300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.680300 (E_RNA)
where:
Base-Base interactions energy: -64.598
where: short stacking energy: -45.206
Base-Backbone interact. energy: 0.005
local terms energy: -108.086927
where:
bonds (distance) C4'-P energy: -28.866
bonds (distance) P-C4' energy: -38.879
flat angles C4'-P-C4' energy: -23.808
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: 1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -139.370015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.370015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.370015 (E_RNA)
where:
Base-Base interactions energy: -37.633
where: short stacking energy: -31.634
Base-Backbone interact. energy: -0.259
local terms energy: -101.477797
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -29.648
flat angles C4'-P-C4' energy: -25.108
flat angles P-C4'-P energy: -22.479
tors. eta vs tors. theta energy: 3.079
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: 399
Temperature: 0.900000
Total energy: -551.216758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.216758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.216758 (E_RNA)
where:
Base-Base interactions energy: -359.470
where: short stacking energy: -164.826
Base-Backbone interact. energy: -0.583
local terms energy: -191.164080
where:
bonds (distance) C4'-P energy: -34.018
bonds (distance) P-C4' energy: -36.758
flat angles C4'-P-C4' energy: -38.354
flat angles P-C4'-P energy: -29.158
tors. eta vs tors. theta energy: -52.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -543.859727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.859727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.859727 (E_RNA)
where:
Base-Base interactions energy: -359.572
where: short stacking energy: -161.169
Base-Backbone interact. energy: -0.040
local terms energy: -184.247329
where:
bonds (distance) C4'-P energy: -38.533
bonds (distance) P-C4' energy: -29.103
flat angles C4'-P-C4' energy: -40.473
flat angles P-C4'-P energy: -23.851
tors. eta vs tors. theta energy: -52.287
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: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -500.486343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.486343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.486343 (E_RNA)
where:
Base-Base interactions energy: -337.566
where: short stacking energy: -135.011
Base-Backbone interact. energy: 2.792
local terms energy: -165.712290
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -28.319
flat angles C4'-P-C4' energy: -30.578
flat angles P-C4'-P energy: -18.673
tors. eta vs tors. theta energy: -52.486
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: 399
Temperature: 1.050000
Total energy: -488.727725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.727725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.727725 (E_RNA)
where:
Base-Base interactions energy: -317.145
where: short stacking energy: -143.804
Base-Backbone interact. energy: -0.183
local terms energy: -171.399726
where:
bonds (distance) C4'-P energy: -37.212
bonds (distance) P-C4' energy: -26.657
flat angles C4'-P-C4' energy: -40.143
flat angles P-C4'-P energy: -18.911
tors. eta vs tors. theta energy: -48.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -454.368549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.368549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.368549 (E_RNA)
where:
Base-Base interactions energy: -296.011
where: short stacking energy: -135.960
Base-Backbone interact. energy: -0.806
local terms energy: -157.551631
where:
bonds (distance) C4'-P energy: -30.871
bonds (distance) P-C4' energy: -29.748
flat angles C4'-P-C4' energy: -38.358
flat angles P-C4'-P energy: -20.683
tors. eta vs tors. theta energy: -37.893
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: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -404.980376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.980376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.980376 (E_RNA)
where:
Base-Base interactions energy: -262.515
where: short stacking energy: -109.129
Base-Backbone interact. energy: -1.702
local terms energy: -140.763270
where:
bonds (distance) C4'-P energy: -22.149
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -38.174
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -32.831
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: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -201.501449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.501449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.501449 (E_RNA)
where:
Base-Base interactions energy: -82.801
where: short stacking energy: -50.006
Base-Backbone interact. energy: -0.233
local terms energy: -118.467671
where:
bonds (distance) C4'-P energy: -33.979
bonds (distance) P-C4' energy: -33.536
flat angles C4'-P-C4' energy: -32.268
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -186.171067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.171067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.171067 (E_RNA)
where:
Base-Base interactions energy: -62.577
where: short stacking energy: -46.075
Base-Backbone interact. energy: -1.685
local terms energy: -121.908606
where:
bonds (distance) C4'-P energy: -32.514
bonds (distance) P-C4' energy: -35.355
flat angles C4'-P-C4' energy: -35.873
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -154.053481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.053481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.053481 (E_RNA)
where:
Base-Base interactions energy: -53.516
where: short stacking energy: -45.342
Base-Backbone interact. energy: -0.807
local terms energy: -99.731114
where:
bonds (distance) C4'-P energy: -25.857
bonds (distance) P-C4' energy: -24.896
flat angles C4'-P-C4' energy: -27.670
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -145.977947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.977947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.977947 (E_RNA)
where:
Base-Base interactions energy: -55.268
where: short stacking energy: -38.769
Base-Backbone interact. energy: -0.460
local terms energy: -90.249966
where:
bonds (distance) C4'-P energy: -32.617
bonds (distance) P-C4' energy: -33.467
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -565.848453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.848453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.848453 (E_RNA)
where:
Base-Base interactions energy: -371.675
where: short stacking energy: -172.565
Base-Backbone interact. energy: -0.470
local terms energy: -193.703800
where:
bonds (distance) C4'-P energy: -40.334
bonds (distance) P-C4' energy: -36.334
flat angles C4'-P-C4' energy: -40.548
flat angles P-C4'-P energy: -20.523
tors. eta vs tors. theta energy: -55.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -523.707832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.707832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.707832 (E_RNA)
where:
Base-Base interactions energy: -352.970
where: short stacking energy: -157.394
Base-Backbone interact. energy: -0.890
local terms energy: -169.848564
where:
bonds (distance) C4'-P energy: -30.260
bonds (distance) P-C4' energy: -32.507
flat angles C4'-P-C4' energy: -37.188
flat angles P-C4'-P energy: -21.744
tors. eta vs tors. theta energy: -48.151
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: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -490.378779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.378779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.378779 (E_RNA)
where:
Base-Base interactions energy: -309.638
where: short stacking energy: -153.209
Base-Backbone interact. energy: -0.573
local terms energy: -180.167316
where:
bonds (distance) C4'-P energy: -32.189
bonds (distance) P-C4' energy: -39.040
flat angles C4'-P-C4' energy: -36.345
flat angles P-C4'-P energy: -28.083
tors. eta vs tors. theta energy: -44.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -482.410864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.410864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.410864 (E_RNA)
where:
Base-Base interactions energy: -318.425
where: short stacking energy: -147.487
Base-Backbone interact. energy: -0.305
local terms energy: -163.680696
where:
bonds (distance) C4'-P energy: -36.068
bonds (distance) P-C4' energy: -29.440
flat angles C4'-P-C4' energy: -30.574
flat angles P-C4'-P energy: -22.439
tors. eta vs tors. theta energy: -45.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -435.343820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.343820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.343820 (E_RNA)
where:
Base-Base interactions energy: -290.477
where: short stacking energy: -127.400
Base-Backbone interact. energy: -0.201
local terms energy: -144.666034
where:
bonds (distance) C4'-P energy: -36.436
bonds (distance) P-C4' energy: -30.093
flat angles C4'-P-C4' energy: -27.962
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -33.564
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: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -406.591317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.591317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.591317 (E_RNA)
where:
Base-Base interactions energy: -264.753
where: short stacking energy: -118.092
Base-Backbone interact. energy: 0.376
local terms energy: -142.214109
where:
bonds (distance) C4'-P energy: -33.403
bonds (distance) P-C4' energy: -28.650
flat angles C4'-P-C4' energy: -29.043
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: -32.571
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: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -186.910843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.910843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.910843 (E_RNA)
where:
Base-Base interactions energy: -74.159
where: short stacking energy: -54.622
Base-Backbone interact. energy: -0.142
local terms energy: -112.609782
where:
bonds (distance) C4'-P energy: -33.205
bonds (distance) P-C4' energy: -29.732
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -8.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -175.444145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.444145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.444145 (E_RNA)
where:
Base-Base interactions energy: -83.337
where: short stacking energy: -35.844
Base-Backbone interact. energy: -0.468
local terms energy: -91.638715
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -35.737
flat angles C4'-P-C4' energy: -25.892
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: 6.769
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: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -165.901862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.901862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.901862 (E_RNA)
where:
Base-Base interactions energy: -61.423
where: short stacking energy: -55.677
Base-Backbone interact. energy: 0.431
local terms energy: -104.909404
where:
bonds (distance) C4'-P energy: -30.398
bonds (distance) P-C4' energy: -27.390
flat angles C4'-P-C4' energy: -31.274
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -160.242051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.242051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.242051 (E_RNA)
where:
Base-Base interactions energy: -47.533
where: short stacking energy: -43.008
Base-Backbone interact. energy: -0.015
local terms energy: -112.694154
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -31.686
flat angles C4'-P-C4' energy: -33.379
flat angles P-C4'-P energy: -19.590
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -541.549052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.549052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.549052 (E_RNA)
where:
Base-Base interactions energy: -348.010
where: short stacking energy: -157.118
Base-Backbone interact. energy: -0.332
local terms energy: -193.206850
where:
bonds (distance) C4'-P energy: -36.863
bonds (distance) P-C4' energy: -36.909
flat angles C4'-P-C4' energy: -37.917
flat angles P-C4'-P energy: -29.880
tors. eta vs tors. theta energy: -51.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -532.351848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.351848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.351848 (E_RNA)
where:
Base-Base interactions energy: -353.596
where: short stacking energy: -155.467
Base-Backbone interact. energy: -0.620
local terms energy: -178.136489
where:
bonds (distance) C4'-P energy: -25.606
bonds (distance) P-C4' energy: -32.892
flat angles C4'-P-C4' energy: -43.665
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -59.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -471.530565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.530565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.530565 (E_RNA)
where:
Base-Base interactions energy: -308.582
where: short stacking energy: -140.105
Base-Backbone interact. energy: -0.465
local terms energy: -162.483640
where:
bonds (distance) C4'-P energy: -35.876
bonds (distance) P-C4' energy: -30.945
flat angles C4'-P-C4' energy: -32.653
flat angles P-C4'-P energy: -22.535
tors. eta vs tors. theta energy: -40.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -477.120256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.120256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.120256 (E_RNA)
where:
Base-Base interactions energy: -308.865
where: short stacking energy: -137.526
Base-Backbone interact. energy: -1.029
local terms energy: -167.226768
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -30.761
flat angles C4'-P-C4' energy: -40.325
flat angles P-C4'-P energy: -28.533
tors. eta vs tors. theta energy: -43.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -441.479694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.479694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.479694 (E_RNA)
where:
Base-Base interactions energy: -302.797
where: short stacking energy: -128.684
Base-Backbone interact. energy: 1.524
local terms energy: -140.206658
where:
bonds (distance) C4'-P energy: -24.240
bonds (distance) P-C4' energy: -30.675
flat angles C4'-P-C4' energy: -31.114
flat angles P-C4'-P energy: -21.668
tors. eta vs tors. theta energy: -32.509
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: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -393.316862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.316862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.316862 (E_RNA)
where:
Base-Base interactions energy: -254.692
where: short stacking energy: -107.172
Base-Backbone interact. energy: -0.731
local terms energy: -137.893862
where:
bonds (distance) C4'-P energy: -24.799
bonds (distance) P-C4' energy: -25.291
flat angles C4'-P-C4' energy: -33.562
flat angles P-C4'-P energy: -24.794
tors. eta vs tors. theta energy: -29.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -190.673085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.673085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.673085 (E_RNA)
where:
Base-Base interactions energy: -78.015
where: short stacking energy: -46.222
Base-Backbone interact. energy: -1.149
local terms energy: -111.508489
where:
bonds (distance) C4'-P energy: -29.482
bonds (distance) P-C4' energy: -29.053
flat angles C4'-P-C4' energy: -30.054
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: -5.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -175.037746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.037746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.037746 (E_RNA)
where:
Base-Base interactions energy: -56.848
where: short stacking energy: -46.004
Base-Backbone interact. energy: -0.460
local terms energy: -117.730030
where:
bonds (distance) C4'-P energy: -31.809
bonds (distance) P-C4' energy: -37.577
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: -7.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -157.947736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.947736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.947736 (E_RNA)
where:
Base-Base interactions energy: -55.290
where: short stacking energy: -43.450
Base-Backbone interact. energy: -0.577
local terms energy: -102.080125
where:
bonds (distance) C4'-P energy: -29.164
bonds (distance) P-C4' energy: -36.905
flat angles C4'-P-C4' energy: -25.059
flat angles P-C4'-P energy: -16.779
tors. eta vs tors. theta energy: 5.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -156.045509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.045509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.045509 (E_RNA)
where:
Base-Base interactions energy: -61.313
where: short stacking energy: -43.899
Base-Backbone interact. energy: 2.798
local terms energy: -97.530896
where:
bonds (distance) C4'-P energy: -31.008
bonds (distance) P-C4' energy: -28.702
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -539.608076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.608076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.608076 (E_RNA)
where:
Base-Base interactions energy: -353.567
where: short stacking energy: -159.953
Base-Backbone interact. energy: -0.127
local terms energy: -185.913881
where:
bonds (distance) C4'-P energy: -30.948
bonds (distance) P-C4' energy: -37.566
flat angles C4'-P-C4' energy: -32.475
flat angles P-C4'-P energy: -30.082
tors. eta vs tors. theta energy: -54.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -518.884303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.884303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.884303 (E_RNA)
where:
Base-Base interactions energy: -338.535
where: short stacking energy: -151.139
Base-Backbone interact. energy: -0.232
local terms energy: -180.117511
where:
bonds (distance) C4'-P energy: -33.111
bonds (distance) P-C4' energy: -32.846
flat angles C4'-P-C4' energy: -34.292
flat angles P-C4'-P energy: -27.133
tors. eta vs tors. theta energy: -52.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -483.735072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.735072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.735072 (E_RNA)
where:
Base-Base interactions energy: -305.025
where: short stacking energy: -133.182
Base-Backbone interact. energy: -0.346
local terms energy: -178.364348
where:
bonds (distance) C4'-P energy: -33.966
bonds (distance) P-C4' energy: -35.356
flat angles C4'-P-C4' energy: -40.414
flat angles P-C4'-P energy: -27.331
tors. eta vs tors. theta energy: -41.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -457.324507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.324507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.324507 (E_RNA)
where:
Base-Base interactions energy: -294.224
where: short stacking energy: -122.698
Base-Backbone interact. energy: 0.818
local terms energy: -163.918597
where:
bonds (distance) C4'-P energy: -31.226
bonds (distance) P-C4' energy: -34.653
flat angles C4'-P-C4' energy: -35.997
flat angles P-C4'-P energy: -21.576
tors. eta vs tors. theta energy: -40.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -404.733874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.733874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.733874 (E_RNA)
where:
Base-Base interactions energy: -267.983
where: short stacking energy: -116.075
Base-Backbone interact. energy: 0.395
local terms energy: -137.146253
where:
bonds (distance) C4'-P energy: -30.716
bonds (distance) P-C4' energy: -29.804
flat angles C4'-P-C4' energy: -23.588
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: -30.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -395.148769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.148769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.148769 (E_RNA)
where:
Base-Base interactions energy: -258.574
where: short stacking energy: -94.254
Base-Backbone interact. energy: -0.825
local terms energy: -135.750201
where:
bonds (distance) C4'-P energy: -30.488
bonds (distance) P-C4' energy: -37.064
flat angles C4'-P-C4' energy: -29.312
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -202.008057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.008057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.008057 (E_RNA)
where:
Base-Base interactions energy: -84.223
where: short stacking energy: -54.114
Base-Backbone interact. energy: -0.469
local terms energy: -117.316087
where:
bonds (distance) C4'-P energy: -34.728
bonds (distance) P-C4' energy: -26.615
flat angles C4'-P-C4' energy: -33.882
flat angles P-C4'-P energy: -20.126
tors. eta vs tors. theta energy: -1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -167.123081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.123081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.123081 (E_RNA)
where:
Base-Base interactions energy: -56.088
where: short stacking energy: -48.568
Base-Backbone interact. energy: -0.543
local terms energy: -110.491534
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -27.740
flat angles C4'-P-C4' energy: -32.839
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -7.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -171.606422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.606422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.606422 (E_RNA)
where:
Base-Base interactions energy: -54.872
where: short stacking energy: -29.642
Base-Backbone interact. energy: -1.689
local terms energy: -115.045422
where:
bonds (distance) C4'-P energy: -28.564
bonds (distance) P-C4' energy: -38.202
flat angles C4'-P-C4' energy: -31.841
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: 2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -148.596773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.596773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.596773 (E_RNA)
where:
Base-Base interactions energy: -47.639
where: short stacking energy: -43.576
Base-Backbone interact. energy: -1.327
local terms energy: -99.630885
where:
bonds (distance) C4'-P energy: -25.943
bonds (distance) P-C4' energy: -31.031
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -535.840228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.840228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.840228 (E_RNA)
where:
Base-Base interactions energy: -351.191
where: short stacking energy: -158.964
Base-Backbone interact. energy: -0.008
local terms energy: -184.641514
where:
bonds (distance) C4'-P energy: -33.615
bonds (distance) P-C4' energy: -34.465
flat angles C4'-P-C4' energy: -39.087
flat angles P-C4'-P energy: -22.945
tors. eta vs tors. theta energy: -54.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -529.341239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.341239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.341239 (E_RNA)
where:
Base-Base interactions energy: -352.117
where: short stacking energy: -161.788
Base-Backbone interact. energy: -0.164
local terms energy: -177.060050
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -33.930
flat angles C4'-P-C4' energy: -30.635
flat angles P-C4'-P energy: -27.769
tors. eta vs tors. theta energy: -55.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -504.342029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.342029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.342029 (E_RNA)
where:
Base-Base interactions energy: -325.151
where: short stacking energy: -153.567
Base-Backbone interact. energy: 0.401
local terms energy: -179.592281
where:
bonds (distance) C4'-P energy: -30.159
bonds (distance) P-C4' energy: -33.003
flat angles C4'-P-C4' energy: -38.717
flat angles P-C4'-P energy: -27.471
tors. eta vs tors. theta energy: -50.242
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: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -454.599364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.599364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.599364 (E_RNA)
where:
Base-Base interactions energy: -294.196
where: short stacking energy: -134.542
Base-Backbone interact. energy: -0.323
local terms energy: -160.080227
where:
bonds (distance) C4'-P energy: -37.568
bonds (distance) P-C4' energy: -26.177
flat angles C4'-P-C4' energy: -35.536
flat angles P-C4'-P energy: -25.320
tors. eta vs tors. theta energy: -35.479
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: 5, replica: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -443.347396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.347396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.347396 (E_RNA)
where:
Base-Base interactions energy: -295.414
where: short stacking energy: -126.248
Base-Backbone interact. energy: -0.684
local terms energy: -147.249556
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -32.112
flat angles C4'-P-C4' energy: -32.648
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -36.726
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: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -411.306531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.306531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.306531 (E_RNA)
where:
Base-Base interactions energy: -258.633
where: short stacking energy: -87.719
Base-Backbone interact. energy: -2.710
local terms energy: -149.963505
where:
bonds (distance) C4'-P energy: -31.408
bonds (distance) P-C4' energy: -29.868
flat angles C4'-P-C4' energy: -35.306
flat angles P-C4'-P energy: -25.829
tors. eta vs tors. theta energy: -27.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -189.331707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.331707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.331707 (E_RNA)
where:
Base-Base interactions energy: -58.365
where: short stacking energy: -49.508
Base-Backbone interact. energy: -0.349
local terms energy: -130.617409
where:
bonds (distance) C4'-P energy: -35.032
bonds (distance) P-C4' energy: -37.493
flat angles C4'-P-C4' energy: -30.882
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -8.524
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: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -169.084807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.084807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.084807 (E_RNA)
where:
Base-Base interactions energy: -73.907
where: short stacking energy: -59.596
Base-Backbone interact. energy: 1.740
local terms energy: -96.917869
where:
bonds (distance) C4'-P energy: -25.763
bonds (distance) P-C4' energy: -28.750
flat angles C4'-P-C4' energy: -26.251
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -1.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -159.182501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.182501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.182501 (E_RNA)
where:
Base-Base interactions energy: -61.879
where: short stacking energy: -42.371
Base-Backbone interact. energy: 0.090
local terms energy: -97.393672
where:
bonds (distance) C4'-P energy: -35.771
bonds (distance) P-C4' energy: -28.195
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -177.284332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.284332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.284332 (E_RNA)
where:
Base-Base interactions energy: -84.700
where: short stacking energy: -35.778
Base-Backbone interact. energy: -0.860
local terms energy: -91.724312
where:
bonds (distance) C4'-P energy: -33.529
bonds (distance) P-C4' energy: -29.198
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: 6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -547.565748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.565748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.565748 (E_RNA)
where:
Base-Base interactions energy: -346.939
where: short stacking energy: -161.820
Base-Backbone interact. energy: 0.146
local terms energy: -200.772613
where:
bonds (distance) C4'-P energy: -32.174
bonds (distance) P-C4' energy: -36.089
flat angles C4'-P-C4' energy: -41.952
flat angles P-C4'-P energy: -29.196
tors. eta vs tors. theta energy: -61.362
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: 404
Temperature: 0.950000
Total energy: -532.591151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.591151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.591151 (E_RNA)
where:
Base-Base interactions energy: -349.578
where: short stacking energy: -160.456
Base-Backbone interact. energy: -0.042
local terms energy: -182.970926
where:
bonds (distance) C4'-P energy: -26.562
bonds (distance) P-C4' energy: -33.223
flat angles C4'-P-C4' energy: -40.473
flat angles P-C4'-P energy: -22.388
tors. eta vs tors. theta energy: -60.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -488.356550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.356550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.356550 (E_RNA)
where:
Base-Base interactions energy: -323.883
where: short stacking energy: -150.035
Base-Backbone interact. energy: -0.235
local terms energy: -164.238478
where:
bonds (distance) C4'-P energy: -27.585
bonds (distance) P-C4' energy: -35.041
flat angles C4'-P-C4' energy: -26.792
flat angles P-C4'-P energy: -23.887
tors. eta vs tors. theta energy: -50.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -467.126441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.126441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.126441 (E_RNA)
where:
Base-Base interactions energy: -302.395
where: short stacking energy: -144.350
Base-Backbone interact. energy: -0.480
local terms energy: -164.251398
where:
bonds (distance) C4'-P energy: -36.070
bonds (distance) P-C4' energy: -26.725
flat angles C4'-P-C4' energy: -35.648
flat angles P-C4'-P energy: -20.294
tors. eta vs tors. theta energy: -45.514
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: 8
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -452.999383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.999383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.999383 (E_RNA)
where:
Base-Base interactions energy: -303.190
where: short stacking energy: -123.016
Base-Backbone interact. energy: -0.843
local terms energy: -148.966288
where:
bonds (distance) C4'-P energy: -27.478
bonds (distance) P-C4' energy: -39.117
flat angles C4'-P-C4' energy: -31.745
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -34.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -413.730163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.730163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.730163 (E_RNA)
where:
Base-Base interactions energy: -271.723
where: short stacking energy: -117.324
Base-Backbone interact. energy: 1.578
local terms energy: -143.584942
where:
bonds (distance) C4'-P energy: -29.564
bonds (distance) P-C4' energy: -23.839
flat angles C4'-P-C4' energy: -30.834
flat angles P-C4'-P energy: -24.721
tors. eta vs tors. theta energy: -34.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -191.007431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.007431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.007431 (E_RNA)
where:
Base-Base interactions energy: -91.907
where: short stacking energy: -44.899
Base-Backbone interact. energy: -0.686
local terms energy: -98.414117
where:
bonds (distance) C4'-P energy: -27.110
bonds (distance) P-C4' energy: -35.411
flat angles C4'-P-C4' energy: -28.025
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: 5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -173.027178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.027178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.027178 (E_RNA)
where:
Base-Base interactions energy: -54.601
where: short stacking energy: -49.765
Base-Backbone interact. energy: -0.454
local terms energy: -117.972647
where:
bonds (distance) C4'-P energy: -38.017
bonds (distance) P-C4' energy: -34.441
flat angles C4'-P-C4' energy: -27.311
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -213.322603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.322603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.322603 (E_RNA)
where:
Base-Base interactions energy: -99.080
where: short stacking energy: -49.943
Base-Backbone interact. energy: -0.703
local terms energy: -113.539494
where:
bonds (distance) C4'-P energy: -38.494
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -32.812
flat angles P-C4'-P energy: -16.746
tors. eta vs tors. theta energy: -5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -150.785439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.785439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.785439 (E_RNA)
where:
Base-Base interactions energy: -33.856
where: short stacking energy: -35.550
Base-Backbone interact. energy: 0.124
local terms energy: -117.054197
where:
bonds (distance) C4'-P energy: -31.753
bonds (distance) P-C4' energy: -36.709
flat angles C4'-P-C4' energy: -32.188
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: 1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -558.268608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.268608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.268608 (E_RNA)
where:
Base-Base interactions energy: -363.984
where: short stacking energy: -167.902
Base-Backbone interact. energy: -0.057
local terms energy: -194.228146
where:
bonds (distance) C4'-P energy: -36.265
bonds (distance) P-C4' energy: -31.503
flat angles C4'-P-C4' energy: -40.181
flat angles P-C4'-P energy: -27.254
tors. eta vs tors. theta energy: -59.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -499.820310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.820310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.820310 (E_RNA)
where:
Base-Base interactions energy: -318.293
where: short stacking energy: -153.448
Base-Backbone interact. energy: 0.925
local terms energy: -182.451579
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -40.633
flat angles C4'-P-C4' energy: -36.405
flat angles P-C4'-P energy: -28.960
tors. eta vs tors. theta energy: -46.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -500.523141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.523141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.523141 (E_RNA)
where:
Base-Base interactions energy: -319.624
where: short stacking energy: -138.911
Base-Backbone interact. energy: -0.119
local terms energy: -180.779284
where:
bonds (distance) C4'-P energy: -38.501
bonds (distance) P-C4' energy: -40.414
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -24.164
tors. eta vs tors. theta energy: -51.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -462.504072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.504072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.504072 (E_RNA)
where:
Base-Base interactions energy: -297.879
where: short stacking energy: -123.769
Base-Backbone interact. energy: -1.469
local terms energy: -163.156739
where:
bonds (distance) C4'-P energy: -33.152
bonds (distance) P-C4' energy: -35.188
flat angles C4'-P-C4' energy: -32.051
flat angles P-C4'-P energy: -23.078
tors. eta vs tors. theta energy: -39.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -404.949903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.949903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.949903 (E_RNA)
where:
Base-Base interactions energy: -259.331
where: short stacking energy: -117.002
Base-Backbone interact. energy: -0.264
local terms energy: -145.354257
where:
bonds (distance) C4'-P energy: -28.914
bonds (distance) P-C4' energy: -27.558
flat angles C4'-P-C4' energy: -31.294
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -37.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -397.513859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.513859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.513859 (E_RNA)
where:
Base-Base interactions energy: -232.343
where: short stacking energy: -105.816
Base-Backbone interact. energy: -1.479
local terms energy: -163.692255
where:
bonds (distance) C4'-P energy: -37.859
bonds (distance) P-C4' energy: -29.884
flat angles C4'-P-C4' energy: -35.928
flat angles P-C4'-P energy: -29.074
tors. eta vs tors. theta energy: -30.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -188.208003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.208003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.208003 (E_RNA)
where:
Base-Base interactions energy: -72.939
where: short stacking energy: -46.924
Base-Backbone interact. energy: 0.269
local terms energy: -115.538176
where:
bonds (distance) C4'-P energy: -26.726
bonds (distance) P-C4' energy: -33.283
flat angles C4'-P-C4' energy: -32.390
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -214.543405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.543405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.543405 (E_RNA)
where:
Base-Base interactions energy: -95.085
where: short stacking energy: -56.027
Base-Backbone interact. energy: -0.082
local terms energy: -119.376845
where:
bonds (distance) C4'-P energy: -35.070
bonds (distance) P-C4' energy: -36.965
flat angles C4'-P-C4' energy: -32.189
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -160.015227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.015227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.015227 (E_RNA)
where:
Base-Base interactions energy: -50.042
where: short stacking energy: -29.081
Base-Backbone interact. energy: 0.562
local terms energy: -110.535084
where:
bonds (distance) C4'-P energy: -30.697
bonds (distance) P-C4' energy: -38.721
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -19.241
tors. eta vs tors. theta energy: 0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -157.527171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.527171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.527171 (E_RNA)
where:
Base-Base interactions energy: -61.262
where: short stacking energy: -56.409
Base-Backbone interact. energy: 2.826
local terms energy: -99.091256
where:
bonds (distance) C4'-P energy: -23.965
bonds (distance) P-C4' energy: -31.497
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -7.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -557.580538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.580538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.580538 (E_RNA)
where:
Base-Base interactions energy: -359.609
where: short stacking energy: -177.344
Base-Backbone interact. energy: -0.510
local terms energy: -197.462388
where:
bonds (distance) C4'-P energy: -36.695
bonds (distance) P-C4' energy: -32.986
flat angles C4'-P-C4' energy: -39.053
flat angles P-C4'-P energy: -28.427
tors. eta vs tors. theta energy: -60.301
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: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -497.679238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.679238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.679238 (E_RNA)
where:
Base-Base interactions energy: -311.188
where: short stacking energy: -141.833
Base-Backbone interact. energy: -0.033
local terms energy: -186.457315
where:
bonds (distance) C4'-P energy: -39.146
bonds (distance) P-C4' energy: -35.867
flat angles C4'-P-C4' energy: -37.574
flat angles P-C4'-P energy: -25.386
tors. eta vs tors. theta energy: -48.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -510.462268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.462268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.462268 (E_RNA)
where:
Base-Base interactions energy: -346.731
where: short stacking energy: -165.784
Base-Backbone interact. energy: -0.459
local terms energy: -163.272331
where:
bonds (distance) C4'-P energy: -22.203
bonds (distance) P-C4' energy: -37.145
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: -54.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -476.004078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.004078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.004078 (E_RNA)
where:
Base-Base interactions energy: -310.314
where: short stacking energy: -136.537
Base-Backbone interact. energy: -0.887
local terms energy: -164.803011
where:
bonds (distance) C4'-P energy: -34.625
bonds (distance) P-C4' energy: -38.013
flat angles C4'-P-C4' energy: -30.250
flat angles P-C4'-P energy: -23.274
tors. eta vs tors. theta energy: -38.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -418.490534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.490534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.490534 (E_RNA)
where:
Base-Base interactions energy: -273.874
where: short stacking energy: -135.227
Base-Backbone interact. energy: -0.226
local terms energy: -144.390268
where:
bonds (distance) C4'-P energy: -29.815
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -31.447
flat angles P-C4'-P energy: -23.574
tors. eta vs tors. theta energy: -38.650
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: 3
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -406.032396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.032396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.032396 (E_RNA)
where:
Base-Base interactions energy: -274.351
where: short stacking energy: -112.658
Base-Backbone interact. energy: -0.788
local terms energy: -130.893869
where:
bonds (distance) C4'-P energy: -31.185
bonds (distance) P-C4' energy: -29.457
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -23.567
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -184.535048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.535048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.535048 (E_RNA)
where:
Base-Base interactions energy: -64.024
where: short stacking energy: -53.225
Base-Backbone interact. energy: -0.857
local terms energy: -119.653593
where:
bonds (distance) C4'-P energy: -29.939
bonds (distance) P-C4' energy: -36.094
flat angles C4'-P-C4' energy: -31.890
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -6.305
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: 8, replica: 2
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -170.930911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.930911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.930911 (E_RNA)
where:
Base-Base interactions energy: -59.279
where: short stacking energy: -44.792
Base-Backbone interact. energy: 0.943
local terms energy: -112.594891
where:
bonds (distance) C4'-P energy: -28.360
bonds (distance) P-C4' energy: -36.961
flat angles C4'-P-C4' energy: -32.491
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: 1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -169.623764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.623764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.623764 (E_RNA)
where:
Base-Base interactions energy: -60.852
where: short stacking energy: -31.354
Base-Backbone interact. energy: -0.514
local terms energy: -108.257254
where:
bonds (distance) C4'-P energy: -30.550
bonds (distance) P-C4' energy: -34.924
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -22.108
tors. eta vs tors. theta energy: 3.326
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: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -161.319118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.319118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.319118 (E_RNA)
where:
Base-Base interactions energy: -58.935
where: short stacking energy: -32.398
Base-Backbone interact. energy: -0.503
local terms energy: -101.881350
where:
bonds (distance) C4'-P energy: -32.001
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -29.696
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: 1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -546.780779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.780779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.780779 (E_RNA)
where:
Base-Base interactions energy: -355.161
where: short stacking energy: -178.211
Base-Backbone interact. energy: -0.370
local terms energy: -191.249917
where:
bonds (distance) C4'-P energy: -35.363
bonds (distance) P-C4' energy: -31.462
flat angles C4'-P-C4' energy: -36.667
flat angles P-C4'-P energy: -30.175
tors. eta vs tors. theta energy: -57.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -545.100208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.100208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.100208 (E_RNA)
where:
Base-Base interactions energy: -358.009
where: short stacking energy: -160.407
Base-Backbone interact. energy: -0.027
local terms energy: -187.064168
where:
bonds (distance) C4'-P energy: -36.891
bonds (distance) P-C4' energy: -34.062
flat angles C4'-P-C4' energy: -36.245
flat angles P-C4'-P energy: -26.471
tors. eta vs tors. theta energy: -53.395
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: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -467.642843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.642843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.642843 (E_RNA)
where:
Base-Base interactions energy: -288.803
where: short stacking energy: -137.893
Base-Backbone interact. energy: -0.265
local terms energy: -178.574862
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -33.976
flat angles C4'-P-C4' energy: -39.926
flat angles P-C4'-P energy: -30.367
tors. eta vs tors. theta energy: -44.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -470.988060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.988060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.988060 (E_RNA)
where:
Base-Base interactions energy: -322.996
where: short stacking energy: -129.264
Base-Backbone interact. energy: -1.180
local terms energy: -146.812386
where:
bonds (distance) C4'-P energy: -28.462
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -33.517
flat angles P-C4'-P energy: -23.507
tors. eta vs tors. theta energy: -32.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -390.544617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.544617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.544617 (E_RNA)
where:
Base-Base interactions energy: -237.485
where: short stacking energy: -110.388
Base-Backbone interact. energy: 2.058
local terms energy: -155.117362
where:
bonds (distance) C4'-P energy: -30.402
bonds (distance) P-C4' energy: -32.636
flat angles C4'-P-C4' energy: -31.886
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -40.300
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: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -394.360119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.360119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.360119 (E_RNA)
where:
Base-Base interactions energy: -240.366
where: short stacking energy: -116.015
Base-Backbone interact. energy: 0.908
local terms energy: -154.901852
where:
bonds (distance) C4'-P energy: -34.438
bonds (distance) P-C4' energy: -31.843
flat angles C4'-P-C4' energy: -31.872
flat angles P-C4'-P energy: -23.914
tors. eta vs tors. theta energy: -32.834
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: 407
Temperature: 1.200000
Total energy: -236.416927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.416927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.416927 (E_RNA)
where:
Base-Base interactions energy: -129.258
where: short stacking energy: -60.551
Base-Backbone interact. energy: 0.990
local terms energy: -108.148976
where:
bonds (distance) C4'-P energy: -27.051
bonds (distance) P-C4' energy: -32.455
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -19.992
tors. eta vs tors. theta energy: -7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -172.255860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.255860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.255860 (E_RNA)
where:
Base-Base interactions energy: -58.730
where: short stacking energy: -56.834
Base-Backbone interact. energy: 0.681
local terms energy: -114.207086
where:
bonds (distance) C4'-P energy: -26.557
bonds (distance) P-C4' energy: -34.712
flat angles C4'-P-C4' energy: -32.882
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: 0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -156.151020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.151020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.151020 (E_RNA)
where:
Base-Base interactions energy: -49.509
where: short stacking energy: -44.803
Base-Backbone interact. energy: -0.151
local terms energy: -106.491529
where:
bonds (distance) C4'-P energy: -31.300
bonds (distance) P-C4' energy: -33.323
flat angles C4'-P-C4' energy: -25.475
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -139.667592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.667592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.667592 (E_RNA)
where:
Base-Base interactions energy: -44.374
where: short stacking energy: -26.118
Base-Backbone interact. energy: -0.404
local terms energy: -94.889497
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -30.952
flat angles C4'-P-C4' energy: -29.239
flat angles P-C4'-P energy: -16.856
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: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -548.889214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.889214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.889214 (E_RNA)
where:
Base-Base interactions energy: -362.274
where: short stacking energy: -169.194
Base-Backbone interact. energy: -0.086
local terms energy: -186.530053
where:
bonds (distance) C4'-P energy: -33.461
bonds (distance) P-C4' energy: -35.783
flat angles C4'-P-C4' energy: -34.685
flat angles P-C4'-P energy: -27.724
tors. eta vs tors. theta energy: -54.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -547.701134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.701134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.701134 (E_RNA)
where:
Base-Base interactions energy: -359.985
where: short stacking energy: -175.199
Base-Backbone interact. energy: -0.037
local terms energy: -187.678449
where:
bonds (distance) C4'-P energy: -35.110
bonds (distance) P-C4' energy: -33.034
flat angles C4'-P-C4' energy: -36.982
flat angles P-C4'-P energy: -23.607
tors. eta vs tors. theta energy: -58.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -496.610589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.610589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.610589 (E_RNA)
where:
Base-Base interactions energy: -333.382
where: short stacking energy: -132.376
Base-Backbone interact. energy: 0.386
local terms energy: -163.614809
where:
bonds (distance) C4'-P energy: -39.291
bonds (distance) P-C4' energy: -37.013
flat angles C4'-P-C4' energy: -25.893
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -36.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -446.223604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.223604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.223604 (E_RNA)
where:
Base-Base interactions energy: -293.508
where: short stacking energy: -125.476
Base-Backbone interact. energy: -0.039
local terms energy: -152.676722
where:
bonds (distance) C4'-P energy: -30.404
bonds (distance) P-C4' energy: -30.239
flat angles C4'-P-C4' energy: -35.469
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: -31.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -452.322791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.322791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.322791 (E_RNA)
where:
Base-Base interactions energy: -291.988
where: short stacking energy: -126.253
Base-Backbone interact. energy: 1.358
local terms energy: -161.692487
where:
bonds (distance) C4'-P energy: -27.388
bonds (distance) P-C4' energy: -31.133
flat angles C4'-P-C4' energy: -35.843
flat angles P-C4'-P energy: -23.964
tors. eta vs tors. theta energy: -43.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -369.097021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.097021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.097021 (E_RNA)
where:
Base-Base interactions energy: -216.822
where: short stacking energy: -102.779
Base-Backbone interact. energy: 2.043
local terms energy: -154.318396
where:
bonds (distance) C4'-P energy: -35.296
bonds (distance) P-C4' energy: -38.247
flat angles C4'-P-C4' energy: -29.903
flat angles P-C4'-P energy: -19.810
tors. eta vs tors. theta energy: -31.062
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: 408
Temperature: 1.200000
Total energy: -189.456507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.456507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.456507 (E_RNA)
where:
Base-Base interactions energy: -85.481
where: short stacking energy: -56.271
Base-Backbone interact. energy: -1.618
local terms energy: -102.357204
where:
bonds (distance) C4'-P energy: -24.352
bonds (distance) P-C4' energy: -27.174
flat angles C4'-P-C4' energy: -25.269
flat angles P-C4'-P energy: -25.123
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: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -169.722782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.722782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.722782 (E_RNA)
where:
Base-Base interactions energy: -68.054
where: short stacking energy: -52.096
Base-Backbone interact. energy: -0.198
local terms energy: -101.470297
where:
bonds (distance) C4'-P energy: -30.040
bonds (distance) P-C4' energy: -29.901
flat angles C4'-P-C4' energy: -30.919
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -186.930294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.930294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.930294 (E_RNA)
where:
Base-Base interactions energy: -91.319
where: short stacking energy: -53.351
Base-Backbone interact. energy: 1.022
local terms energy: -96.633112
where:
bonds (distance) C4'-P energy: -30.509
bonds (distance) P-C4' energy: -36.958
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: 5.948
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: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -142.349184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.349184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.349184 (E_RNA)
where:
Base-Base interactions energy: -47.996
where: short stacking energy: -31.530
Base-Backbone interact. energy: -0.462
local terms energy: -93.891442
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -31.071
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -3.240
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: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -567.273944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.273944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.273944 (E_RNA)
where:
Base-Base interactions energy: -358.224
where: short stacking energy: -174.256
Base-Backbone interact. energy: -0.009
local terms energy: -209.040928
where:
bonds (distance) C4'-P energy: -33.879
bonds (distance) P-C4' energy: -36.194
flat angles C4'-P-C4' energy: -41.859
flat angles P-C4'-P energy: -34.559
tors. eta vs tors. theta energy: -62.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -547.968310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.968310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.968310 (E_RNA)
where:
Base-Base interactions energy: -347.241
where: short stacking energy: -163.051
Base-Backbone interact. energy: -0.183
local terms energy: -200.544148
where:
bonds (distance) C4'-P energy: -36.731
bonds (distance) P-C4' energy: -38.388
flat angles C4'-P-C4' energy: -42.395
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -61.067
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: 3, replica: 8
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -494.711335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.711335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.711335 (E_RNA)
where:
Base-Base interactions energy: -325.954
where: short stacking energy: -124.480
Base-Backbone interact. energy: -0.538
local terms energy: -168.219335
where:
bonds (distance) C4'-P energy: -32.194
bonds (distance) P-C4' energy: -40.460
flat angles C4'-P-C4' energy: -34.934
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -35.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -454.604824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.604824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.604824 (E_RNA)
where:
Base-Base interactions energy: -289.432
where: short stacking energy: -142.034
Base-Backbone interact. energy: -1.435
local terms energy: -163.738494
where:
bonds (distance) C4'-P energy: -35.849
bonds (distance) P-C4' energy: -31.392
flat angles C4'-P-C4' energy: -37.344
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -44.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -432.784571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.784571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.784571 (E_RNA)
where:
Base-Base interactions energy: -286.666
where: short stacking energy: -128.151
Base-Backbone interact. energy: -1.605
local terms energy: -144.513762
where:
bonds (distance) C4'-P energy: -33.465
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -32.784
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -33.630
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: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -373.823027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.823027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.823027 (E_RNA)
where:
Base-Base interactions energy: -230.786
where: short stacking energy: -91.675
Base-Backbone interact. energy: -2.779
local terms energy: -140.257665
where:
bonds (distance) C4'-P energy: -29.864
bonds (distance) P-C4' energy: -31.976
flat angles C4'-P-C4' energy: -39.205
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -21.907
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: 4
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -224.882264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.882264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.882264 (E_RNA)
where:
Base-Base interactions energy: -92.509
where: short stacking energy: -54.832
Base-Backbone interact. energy: -0.728
local terms energy: -131.644848
where:
bonds (distance) C4'-P energy: -32.981
bonds (distance) P-C4' energy: -35.747
flat angles C4'-P-C4' energy: -35.045
flat angles P-C4'-P energy: -17.980
tors. eta vs tors. theta energy: -9.892
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: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -178.385071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.385071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.385071 (E_RNA)
where:
Base-Base interactions energy: -93.859
where: short stacking energy: -52.210
Base-Backbone interact. energy: 0.803
local terms energy: -85.329485
where:
bonds (distance) C4'-P energy: -24.869
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: 6.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -175.131659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.131659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.131659 (E_RNA)
where:
Base-Base interactions energy: -77.761
where: short stacking energy: -39.759
Base-Backbone interact. energy: 0.544
local terms energy: -97.914808
where:
bonds (distance) C4'-P energy: -26.979
bonds (distance) P-C4' energy: -31.503
flat angles C4'-P-C4' energy: -33.669
flat angles P-C4'-P energy: -14.331
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: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -142.213666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.213666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.213666 (E_RNA)
where:
Base-Base interactions energy: -47.864
where: short stacking energy: -30.211
Base-Backbone interact. energy: -1.650
local terms energy: -92.699272
where:
bonds (distance) C4'-P energy: -26.125
bonds (distance) P-C4' energy: -35.968
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -21.156
tors. eta vs tors. theta energy: 14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -553.022276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.022276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.022276 (E_RNA)
where:
Base-Base interactions energy: -357.866
where: short stacking energy: -173.223
Base-Backbone interact. energy: 0.942
local terms energy: -196.097632
where:
bonds (distance) C4'-P energy: -32.812
bonds (distance) P-C4' energy: -37.305
flat angles C4'-P-C4' energy: -42.251
flat angles P-C4'-P energy: -27.469
tors. eta vs tors. theta energy: -56.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -545.934101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.934101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.934101 (E_RNA)
where:
Base-Base interactions energy: -358.868
where: short stacking energy: -173.531
Base-Backbone interact. energy: -0.012
local terms energy: -187.053893
where:
bonds (distance) C4'-P energy: -32.704
bonds (distance) P-C4' energy: -36.524
flat angles C4'-P-C4' energy: -37.067
flat angles P-C4'-P energy: -26.917
tors. eta vs tors. theta energy: -53.843
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: 8
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -498.009822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.009822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.009822 (E_RNA)
where:
Base-Base interactions energy: -337.578
where: short stacking energy: -127.200
Base-Backbone interact. energy: 3.434
local terms energy: -163.865767
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -36.999
flat angles C4'-P-C4' energy: -31.285
flat angles P-C4'-P energy: -25.908
tors. eta vs tors. theta energy: -41.234
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: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -466.061113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.061113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.061113 (E_RNA)
where:
Base-Base interactions energy: -297.602
where: short stacking energy: -136.710
Base-Backbone interact. energy: -0.136
local terms energy: -168.322679
where:
bonds (distance) C4'-P energy: -30.481
bonds (distance) P-C4' energy: -36.528
flat angles C4'-P-C4' energy: -37.972
flat angles P-C4'-P energy: -18.100
tors. eta vs tors. theta energy: -45.241
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: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -431.693648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.693648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.693648 (E_RNA)
where:
Base-Base interactions energy: -271.940
where: short stacking energy: -113.405
Base-Backbone interact. energy: -0.281
local terms energy: -159.472928
where:
bonds (distance) C4'-P energy: -35.436
bonds (distance) P-C4' energy: -32.202
flat angles C4'-P-C4' energy: -31.747
flat angles P-C4'-P energy: -21.301
tors. eta vs tors. theta energy: -38.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -416.623683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.623683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.623683 (E_RNA)
where:
Base-Base interactions energy: -264.631
where: short stacking energy: -125.661
Base-Backbone interact. energy: -0.925
local terms energy: -151.067917
where:
bonds (distance) C4'-P energy: -30.043
bonds (distance) P-C4' energy: -26.659
flat angles C4'-P-C4' energy: -41.352
flat angles P-C4'-P energy: -19.049
tors. eta vs tors. theta energy: -33.965
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: 410
Temperature: 1.200000
Total energy: -205.472619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.472619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.472619 (E_RNA)
where:
Base-Base interactions energy: -95.740
where: short stacking energy: -66.898
Base-Backbone interact. energy: -0.810
local terms energy: -108.923054
where:
bonds (distance) C4'-P energy: -25.581
bonds (distance) P-C4' energy: -30.206
flat angles C4'-P-C4' energy: -28.239
flat angles P-C4'-P energy: -17.031
tors. eta vs tors. theta energy: -7.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -167.978999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.978999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.978999 (E_RNA)
where:
Base-Base interactions energy: -61.694
where: short stacking energy: -38.651
Base-Backbone interact. energy: -0.598
local terms energy: -105.686633
where:
bonds (distance) C4'-P energy: -20.470
bonds (distance) P-C4' energy: -35.076
flat angles C4'-P-C4' energy: -29.362
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -178.429492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.429492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.429492 (E_RNA)
where:
Base-Base interactions energy: -65.838
where: short stacking energy: -45.041
Base-Backbone interact. energy: -0.188
local terms energy: -112.404026
where:
bonds (distance) C4'-P energy: -25.168
bonds (distance) P-C4' energy: -33.682
flat angles C4'-P-C4' energy: -31.026
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -8.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -152.695155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.695155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.695155 (E_RNA)
where:
Base-Base interactions energy: -53.546
where: short stacking energy: -47.188
Base-Backbone interact. energy: 0.111
local terms energy: -99.260837
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -26.088
flat angles C4'-P-C4' energy: -31.254
flat angles P-C4'-P energy: -20.786
tors. eta vs tors. theta energy: 0.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -550.607566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.607566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.607566 (E_RNA)
where:
Base-Base interactions energy: -345.854
where: short stacking energy: -166.394
Base-Backbone interact. energy: 0.388
local terms energy: -205.140795
where:
bonds (distance) C4'-P energy: -38.120
bonds (distance) P-C4' energy: -35.881
flat angles C4'-P-C4' energy: -37.977
flat angles P-C4'-P energy: -31.987
tors. eta vs tors. theta energy: -61.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -543.931723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.931723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.931723 (E_RNA)
where:
Base-Base interactions energy: -349.099
where: short stacking energy: -172.042
Base-Backbone interact. energy: 0.404
local terms energy: -195.236765
where:
bonds (distance) C4'-P energy: -29.894
bonds (distance) P-C4' energy: -37.714
flat angles C4'-P-C4' energy: -38.545
flat angles P-C4'-P energy: -27.444
tors. eta vs tors. theta energy: -61.639
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: 8
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -478.325242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.325242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.325242 (E_RNA)
where:
Base-Base interactions energy: -326.245
where: short stacking energy: -126.342
Base-Backbone interact. energy: 1.044
local terms energy: -153.124472
where:
bonds (distance) C4'-P energy: -33.704
bonds (distance) P-C4' energy: -32.334
flat angles C4'-P-C4' energy: -35.919
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -39.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -472.719454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.719454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.719454 (E_RNA)
where:
Base-Base interactions energy: -295.156
where: short stacking energy: -140.829
Base-Backbone interact. energy: -0.052
local terms energy: -177.511005
where:
bonds (distance) C4'-P energy: -30.935
bonds (distance) P-C4' energy: -29.620
flat angles C4'-P-C4' energy: -35.106
flat angles P-C4'-P energy: -26.982
tors. eta vs tors. theta energy: -54.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -430.107650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.107650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.107650 (E_RNA)
where:
Base-Base interactions energy: -280.452
where: short stacking energy: -104.367
Base-Backbone interact. energy: -1.560
local terms energy: -148.095644
where:
bonds (distance) C4'-P energy: -33.376
bonds (distance) P-C4' energy: -28.694
flat angles C4'-P-C4' energy: -33.637
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -38.120
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: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -371.430256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.430256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.430256 (E_RNA)
where:
Base-Base interactions energy: -227.382
where: short stacking energy: -102.034
Base-Backbone interact. energy: -0.621
local terms energy: -143.427708
where:
bonds (distance) C4'-P energy: -35.151
bonds (distance) P-C4' energy: -28.820
flat angles C4'-P-C4' energy: -30.651
flat angles P-C4'-P energy: -21.543
tors. eta vs tors. theta energy: -27.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -196.283519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.283519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.283519 (E_RNA)
where:
Base-Base interactions energy: -82.468
where: short stacking energy: -51.857
Base-Backbone interact. energy: 5.638
local terms energy: -119.453121
where:
bonds (distance) C4'-P energy: -32.053
bonds (distance) P-C4' energy: -25.066
flat angles C4'-P-C4' energy: -31.274
flat angles P-C4'-P energy: -23.327
tors. eta vs tors. theta energy: -7.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -193.525550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.525550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.525550 (E_RNA)
where:
Base-Base interactions energy: -88.201
where: short stacking energy: -57.585
Base-Backbone interact. energy: -0.897
local terms energy: -104.428202
where:
bonds (distance) C4'-P energy: -28.108
bonds (distance) P-C4' energy: -31.016
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -149.257596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.257596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.257596 (E_RNA)
where:
Base-Base interactions energy: -67.965
where: short stacking energy: -31.921
Base-Backbone interact. energy: 0.017
local terms energy: -81.309460
where:
bonds (distance) C4'-P energy: -19.616
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -31.259
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: 9.359
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: 5
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -190.133845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.133845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.133845 (E_RNA)
where:
Base-Base interactions energy: -70.595
where: short stacking energy: -44.058
Base-Backbone interact. energy: -1.714
local terms energy: -117.824536
where:
bonds (distance) C4'-P energy: -35.093
bonds (distance) P-C4' energy: -33.521
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -19.968
tors. eta vs tors. theta energy: -8.658
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: 412
Temperature: 0.900000
Total energy: -552.265687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.265687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.265687 (E_RNA)
where:
Base-Base interactions energy: -348.980
where: short stacking energy: -178.373
Base-Backbone interact. energy: -0.007
local terms energy: -203.279016
where:
bonds (distance) C4'-P energy: -38.715
bonds (distance) P-C4' energy: -36.355
flat angles C4'-P-C4' energy: -41.354
flat angles P-C4'-P energy: -25.873
tors. eta vs tors. theta energy: -60.982
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: 2, replica: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -526.141104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.141104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.141104 (E_RNA)
where:
Base-Base interactions energy: -345.026
where: short stacking energy: -145.508
Base-Backbone interact. energy: -0.091
local terms energy: -181.024181
where:
bonds (distance) C4'-P energy: -31.419
bonds (distance) P-C4' energy: -32.381
flat angles C4'-P-C4' energy: -35.765
flat angles P-C4'-P energy: -23.961
tors. eta vs tors. theta energy: -57.498
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: 8
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -483.485292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.485292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.485292 (E_RNA)
where:
Base-Base interactions energy: -313.048
where: short stacking energy: -137.766
Base-Backbone interact. energy: -0.652
local terms energy: -169.785091
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -39.856
flat angles C4'-P-C4' energy: -35.982
flat angles P-C4'-P energy: -22.850
tors. eta vs tors. theta energy: -40.532
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: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -486.635018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.635018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.635018 (E_RNA)
where:
Base-Base interactions energy: -303.876
where: short stacking energy: -141.869
Base-Backbone interact. energy: -0.153
local terms energy: -182.606130
where:
bonds (distance) C4'-P energy: -33.314
bonds (distance) P-C4' energy: -33.540
flat angles C4'-P-C4' energy: -40.946
flat angles P-C4'-P energy: -28.096
tors. eta vs tors. theta energy: -46.711
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: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -431.440447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.440447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.440447 (E_RNA)
where:
Base-Base interactions energy: -286.589
where: short stacking energy: -111.098
Base-Backbone interact. energy: -0.644
local terms energy: -144.207492
where:
bonds (distance) C4'-P energy: -27.083
bonds (distance) P-C4' energy: -27.406
flat angles C4'-P-C4' energy: -27.836
flat angles P-C4'-P energy: -27.046
tors. eta vs tors. theta energy: -34.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -347.346518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.346518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.346518 (E_RNA)
where:
Base-Base interactions energy: -204.190
where: short stacking energy: -109.487
Base-Backbone interact. energy: -0.083
local terms energy: -143.073409
where:
bonds (distance) C4'-P energy: -31.424
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -32.976
flat angles P-C4'-P energy: -23.007
tors. eta vs tors. theta energy: -26.861
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: 412
Temperature: 1.200000
Total energy: -191.086832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.086832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.086832 (E_RNA)
where:
Base-Base interactions energy: -72.430
where: short stacking energy: -51.394
Base-Backbone interact. energy: 2.462
local terms energy: -121.119400
where:
bonds (distance) C4'-P energy: -29.821
bonds (distance) P-C4' energy: -31.281
flat angles C4'-P-C4' energy: -32.148
flat angles P-C4'-P energy: -22.480
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -210.866191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.866191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.866191 (E_RNA)
where:
Base-Base interactions energy: -111.447
where: short stacking energy: -58.634
Base-Backbone interact. energy: -1.872
local terms energy: -97.546958
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -30.493
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -8.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -151.667541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.667541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.667541 (E_RNA)
where:
Base-Base interactions energy: -52.679
where: short stacking energy: -37.551
Base-Backbone interact. energy: -1.670
local terms energy: -97.319093
where:
bonds (distance) C4'-P energy: -27.102
bonds (distance) P-C4' energy: -33.288
flat angles C4'-P-C4' energy: -25.234
flat angles P-C4'-P energy: -21.701
tors. eta vs tors. theta energy: 10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -148.804259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.804259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.804259 (E_RNA)
where:
Base-Base interactions energy: -72.739
where: short stacking energy: -37.458
Base-Backbone interact. energy: 1.492
local terms energy: -77.557277
where:
bonds (distance) C4'-P energy: -29.226
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: 4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -547.978551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.978551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.978551 (E_RNA)
where:
Base-Base interactions energy: -357.773
where: short stacking energy: -173.584
Base-Backbone interact. energy: -0.110
local terms energy: -190.096030
where:
bonds (distance) C4'-P energy: -32.919
bonds (distance) P-C4' energy: -31.920
flat angles C4'-P-C4' energy: -36.920
flat angles P-C4'-P energy: -28.352
tors. eta vs tors. theta energy: -59.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -499.589811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.589811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.589811 (E_RNA)
where:
Base-Base interactions energy: -324.850
where: short stacking energy: -130.255
Base-Backbone interact. energy: -0.584
local terms energy: -174.156749
where:
bonds (distance) C4'-P energy: -37.349
bonds (distance) P-C4' energy: -35.498
flat angles C4'-P-C4' energy: -34.305
flat angles P-C4'-P energy: -22.747
tors. eta vs tors. theta energy: -44.258
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: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -530.147096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.147096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.147096 (E_RNA)
where:
Base-Base interactions energy: -355.544
where: short stacking energy: -172.778
Base-Backbone interact. energy: -0.005
local terms energy: -174.597369
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -33.660
flat angles C4'-P-C4' energy: -41.111
flat angles P-C4'-P energy: -21.264
tors. eta vs tors. theta energy: -58.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -472.163728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.163728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.163728 (E_RNA)
where:
Base-Base interactions energy: -299.034
where: short stacking energy: -128.145
Base-Backbone interact. energy: 0.356
local terms energy: -173.486020
where:
bonds (distance) C4'-P energy: -26.754
bonds (distance) P-C4' energy: -40.418
flat angles C4'-P-C4' energy: -38.151
flat angles P-C4'-P energy: -23.141
tors. eta vs tors. theta energy: -45.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -448.496643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.496643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.496643 (E_RNA)
where:
Base-Base interactions energy: -285.617
where: short stacking energy: -121.275
Base-Backbone interact. energy: -2.715
local terms energy: -160.164342
where:
bonds (distance) C4'-P energy: -31.668
bonds (distance) P-C4' energy: -29.477
flat angles C4'-P-C4' energy: -35.736
flat angles P-C4'-P energy: -22.213
tors. eta vs tors. theta energy: -41.071
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: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -382.853583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.853583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.853583 (E_RNA)
where:
Base-Base interactions energy: -234.949
where: short stacking energy: -113.977
Base-Backbone interact. energy: -0.158
local terms energy: -147.746880
where:
bonds (distance) C4'-P energy: -33.648
bonds (distance) P-C4' energy: -33.153
flat angles C4'-P-C4' energy: -32.066
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -32.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -180.690975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.690975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.690975 (E_RNA)
where:
Base-Base interactions energy: -69.181
where: short stacking energy: -49.020
Base-Backbone interact. energy: -0.420
local terms energy: -111.090274
where:
bonds (distance) C4'-P energy: -30.998
bonds (distance) P-C4' energy: -33.628
flat angles C4'-P-C4' energy: -26.818
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -3.427
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: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -183.954831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.954831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.954831 (E_RNA)
where:
Base-Base interactions energy: -60.259
where: short stacking energy: -53.541
Base-Backbone interact. energy: -0.229
local terms energy: -123.467246
where:
bonds (distance) C4'-P energy: -31.710
bonds (distance) P-C4' energy: -36.056
flat angles C4'-P-C4' energy: -29.924
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -12.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -194.407264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.407264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.407264 (E_RNA)
where:
Base-Base interactions energy: -94.102
where: short stacking energy: -49.678
Base-Backbone interact. energy: -0.249
local terms energy: -100.056535
where:
bonds (distance) C4'-P energy: -38.721
bonds (distance) P-C4' energy: -31.614
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -16.677
tors. eta vs tors. theta energy: 7.950
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: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -152.763237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.763237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.763237 (E_RNA)
where:
Base-Base interactions energy: -50.329
where: short stacking energy: -29.962
Base-Backbone interact. energy: -0.468
local terms energy: -101.966766
where:
bonds (distance) C4'-P energy: -33.774
bonds (distance) P-C4' energy: -33.294
flat angles C4'-P-C4' energy: -23.278
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: 5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -507.562442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.562442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.562442 (E_RNA)
where:
Base-Base interactions energy: -330.802
where: short stacking energy: -138.603
Base-Backbone interact. energy: -0.697
local terms energy: -176.063901
where:
bonds (distance) C4'-P energy: -36.281
bonds (distance) P-C4' energy: -37.316
flat angles C4'-P-C4' energy: -36.316
flat angles P-C4'-P energy: -19.268
tors. eta vs tors. theta energy: -46.883
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: 414
Temperature: 0.950000
Total energy: -533.299448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.299448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.299448 (E_RNA)
where:
Base-Base interactions energy: -343.544
where: short stacking energy: -158.889
Base-Backbone interact. energy: -0.027
local terms energy: -189.728651
where:
bonds (distance) C4'-P energy: -31.974
bonds (distance) P-C4' energy: -34.712
flat angles C4'-P-C4' energy: -38.212
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -62.114
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: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -538.884902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.884902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.884902 (E_RNA)
where:
Base-Base interactions energy: -350.995
where: short stacking energy: -161.263
Base-Backbone interact. energy: -0.025
local terms energy: -187.864322
where:
bonds (distance) C4'-P energy: -32.772
bonds (distance) P-C4' energy: -34.801
flat angles C4'-P-C4' energy: -37.958
flat angles P-C4'-P energy: -23.859
tors. eta vs tors. theta energy: -58.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -456.498050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.498050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.498050 (E_RNA)
where:
Base-Base interactions energy: -281.643
where: short stacking energy: -141.039
Base-Backbone interact. energy: -0.243
local terms energy: -174.611933
where:
bonds (distance) C4'-P energy: -31.010
bonds (distance) P-C4' energy: -33.584
flat angles C4'-P-C4' energy: -37.211
flat angles P-C4'-P energy: -22.015
tors. eta vs tors. theta energy: -50.792
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: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -444.596362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.596362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.596362 (E_RNA)
where:
Base-Base interactions energy: -295.772
where: short stacking energy: -111.111
Base-Backbone interact. energy: -2.142
local terms energy: -146.682194
where:
bonds (distance) C4'-P energy: -32.443
bonds (distance) P-C4' energy: -30.856
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -24.870
tors. eta vs tors. theta energy: -34.650
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: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -382.494776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.494776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.494776 (E_RNA)
where:
Base-Base interactions energy: -243.060
where: short stacking energy: -88.890
Base-Backbone interact. energy: -0.185
local terms energy: -139.249019
where:
bonds (distance) C4'-P energy: -36.150
bonds (distance) P-C4' energy: -32.998
flat angles C4'-P-C4' energy: -22.224
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -27.546
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: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -179.116695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.116695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.116695 (E_RNA)
where:
Base-Base interactions energy: -48.621
where: short stacking energy: -48.383
Base-Backbone interact. energy: -0.564
local terms energy: -129.931177
where:
bonds (distance) C4'-P energy: -35.438
bonds (distance) P-C4' energy: -34.749
flat angles C4'-P-C4' energy: -30.020
flat angles P-C4'-P energy: -24.020
tors. eta vs tors. theta energy: -5.705
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: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -167.767054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.767054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.767054 (E_RNA)
where:
Base-Base interactions energy: -61.717
where: short stacking energy: -50.500
Base-Backbone interact. energy: 5.039
local terms energy: -111.088924
where:
bonds (distance) C4'-P energy: -34.285
bonds (distance) P-C4' energy: -31.556
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -3.623
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: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -160.881161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.881161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.881161 (E_RNA)
where:
Base-Base interactions energy: -50.663
where: short stacking energy: -35.585
Base-Backbone interact. energy: -0.478
local terms energy: -109.739425
where:
bonds (distance) C4'-P energy: -34.123
bonds (distance) P-C4' energy: -24.824
flat angles C4'-P-C4' energy: -26.172
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -8.404
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: 4
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -153.290517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.290517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.290517 (E_RNA)
where:
Base-Base interactions energy: -63.752
where: short stacking energy: -43.343
Base-Backbone interact. energy: 1.210
local terms energy: -90.749034
where:
bonds (distance) C4'-P energy: -34.112
bonds (distance) P-C4' energy: -27.919
flat angles C4'-P-C4' energy: -26.686
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: 10.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -507.299774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.299774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.299774 (E_RNA)
where:
Base-Base interactions energy: -335.125
where: short stacking energy: -135.912
Base-Backbone interact. energy: -0.472
local terms energy: -171.702528
where:
bonds (distance) C4'-P energy: -31.332
bonds (distance) P-C4' energy: -39.678
flat angles C4'-P-C4' energy: -33.438
flat angles P-C4'-P energy: -24.040
tors. eta vs tors. theta energy: -43.215
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: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -553.951720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.951720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.951720 (E_RNA)
where:
Base-Base interactions energy: -369.597
where: short stacking energy: -165.372
Base-Backbone interact. energy: 1.485
local terms energy: -185.839640
where:
bonds (distance) C4'-P energy: -34.003
bonds (distance) P-C4' energy: -29.642
flat angles C4'-P-C4' energy: -36.628
flat angles P-C4'-P energy: -29.385
tors. eta vs tors. theta energy: -56.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -525.044429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.044429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.044429 (E_RNA)
where:
Base-Base interactions energy: -331.603
where: short stacking energy: -155.013
Base-Backbone interact. energy: -0.065
local terms energy: -193.376495
where:
bonds (distance) C4'-P energy: -31.735
bonds (distance) P-C4' energy: -38.706
flat angles C4'-P-C4' energy: -38.167
flat angles P-C4'-P energy: -27.042
tors. eta vs tors. theta energy: -57.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -448.768071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.768071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.768071 (E_RNA)
where:
Base-Base interactions energy: -297.290
where: short stacking energy: -120.877
Base-Backbone interact. energy: -0.154
local terms energy: -151.324467
where:
bonds (distance) C4'-P energy: -31.302
bonds (distance) P-C4' energy: -32.422
flat angles C4'-P-C4' energy: -33.113
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -34.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -428.891383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.891383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.891383 (E_RNA)
where:
Base-Base interactions energy: -276.839
where: short stacking energy: -118.741
Base-Backbone interact. energy: -0.608
local terms energy: -151.444037
where:
bonds (distance) C4'-P energy: -29.278
bonds (distance) P-C4' energy: -34.010
flat angles C4'-P-C4' energy: -36.483
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -35.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -380.657667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.657667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.657667 (E_RNA)
where:
Base-Base interactions energy: -226.634
where: short stacking energy: -102.265
Base-Backbone interact. energy: -0.674
local terms energy: -153.349777
where:
bonds (distance) C4'-P energy: -30.632
bonds (distance) P-C4' energy: -33.338
flat angles C4'-P-C4' energy: -36.653
flat angles P-C4'-P energy: -24.031
tors. eta vs tors. theta energy: -28.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -209.952418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.952418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.952418 (E_RNA)
where:
Base-Base interactions energy: -92.641
where: short stacking energy: -58.335
Base-Backbone interact. energy: -1.572
local terms energy: -115.740210
where:
bonds (distance) C4'-P energy: -27.260
bonds (distance) P-C4' energy: -34.653
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -7.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -185.913755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.913755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.913755 (E_RNA)
where:
Base-Base interactions energy: -69.421
where: short stacking energy: -53.772
Base-Backbone interact. energy: 2.389
local terms energy: -118.881865
where:
bonds (distance) C4'-P energy: -29.197
bonds (distance) P-C4' energy: -35.413
flat angles C4'-P-C4' energy: -26.150
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -13.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -155.510389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.510389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.510389 (E_RNA)
where:
Base-Base interactions energy: -52.173
where: short stacking energy: -46.054
Base-Backbone interact. energy: -0.842
local terms energy: -102.495141
where:
bonds (distance) C4'-P energy: -31.220
bonds (distance) P-C4' energy: -28.173
flat angles C4'-P-C4' energy: -27.495
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -3.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -137.017564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.017564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.017564 (E_RNA)
where:
Base-Base interactions energy: -36.905
where: short stacking energy: -31.228
Base-Backbone interact. energy: 2.217
local terms energy: -102.329885
where:
bonds (distance) C4'-P energy: -27.109
bonds (distance) P-C4' energy: -37.586
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: 0.464
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: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -558.870328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.870328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.870328 (E_RNA)
where:
Base-Base interactions energy: -368.137
where: short stacking energy: -162.917
Base-Backbone interact. energy: -0.100
local terms energy: -190.633593
where:
bonds (distance) C4'-P energy: -39.311
bonds (distance) P-C4' energy: -29.301
flat angles C4'-P-C4' energy: -38.310
flat angles P-C4'-P energy: -27.574
tors. eta vs tors. theta energy: -56.137
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: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -479.289693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.289693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.289693 (E_RNA)
where:
Base-Base interactions energy: -315.418
where: short stacking energy: -124.524
Base-Backbone interact. energy: -1.110
local terms energy: -162.761872
where:
bonds (distance) C4'-P energy: -38.259
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -37.681
flat angles P-C4'-P energy: -18.842
tors. eta vs tors. theta energy: -35.470
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: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -510.675383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.675383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.675383 (E_RNA)
where:
Base-Base interactions energy: -334.404
where: short stacking energy: -152.733
Base-Backbone interact. energy: -0.046
local terms energy: -176.225234
where:
bonds (distance) C4'-P energy: -30.682
bonds (distance) P-C4' energy: -30.137
flat angles C4'-P-C4' energy: -38.852
flat angles P-C4'-P energy: -26.449
tors. eta vs tors. theta energy: -50.105
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: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -465.761986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.761986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.761986 (E_RNA)
where:
Base-Base interactions energy: -292.090
where: short stacking energy: -141.940
Base-Backbone interact. energy: 0.234
local terms energy: -173.905590
where:
bonds (distance) C4'-P energy: -25.163
bonds (distance) P-C4' energy: -36.134
flat angles C4'-P-C4' energy: -37.622
flat angles P-C4'-P energy: -25.051
tors. eta vs tors. theta energy: -49.936
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: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -408.630560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.630560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.630560 (E_RNA)
where:
Base-Base interactions energy: -259.701
where: short stacking energy: -114.163
Base-Backbone interact. energy: 1.266
local terms energy: -150.194885
where:
bonds (distance) C4'-P energy: -33.597
bonds (distance) P-C4' energy: -29.808
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -21.282
tors. eta vs tors. theta energy: -33.814
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: 416
Temperature: 1.150000
Total energy: -335.111884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.111884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.111884 (E_RNA)
where:
Base-Base interactions energy: -189.212
where: short stacking energy: -83.412
Base-Backbone interact. energy: -0.212
local terms energy: -145.688515
where:
bonds (distance) C4'-P energy: -28.197
bonds (distance) P-C4' energy: -41.340
flat angles C4'-P-C4' energy: -36.162
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -193.801292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.801292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.801292 (E_RNA)
where:
Base-Base interactions energy: -74.933
where: short stacking energy: -58.649
Base-Backbone interact. energy: -0.492
local terms energy: -118.375619
where:
bonds (distance) C4'-P energy: -34.388
bonds (distance) P-C4' energy: -32.106
flat angles C4'-P-C4' energy: -30.085
flat angles P-C4'-P energy: -19.323
tors. eta vs tors. theta energy: -2.473
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: 5
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -178.123679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.123679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.123679 (E_RNA)
where:
Base-Base interactions energy: -70.194
where: short stacking energy: -60.102
Base-Backbone interact. energy: -1.002
local terms energy: -106.927786
where:
bonds (distance) C4'-P energy: -23.996
bonds (distance) P-C4' energy: -34.600
flat angles C4'-P-C4' energy: -25.481
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -2.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -156.792139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.792139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.792139 (E_RNA)
where:
Base-Base interactions energy: -61.900
where: short stacking energy: -47.916
Base-Backbone interact. energy: -1.213
local terms energy: -93.679697
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -29.066
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -148.807777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.807777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.807777 (E_RNA)
where:
Base-Base interactions energy: -43.284
where: short stacking energy: -33.609
Base-Backbone interact. energy: -0.467
local terms energy: -105.057110
where:
bonds (distance) C4'-P energy: -27.474
bonds (distance) P-C4' energy: -34.887
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -16.371
tors. eta vs tors. theta energy: 2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -562.010586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.010586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.010586 (E_RNA)
where:
Base-Base interactions energy: -362.912
where: short stacking energy: -175.654
Base-Backbone interact. energy: -0.005
local terms energy: -199.093466
where:
bonds (distance) C4'-P energy: -28.720
bonds (distance) P-C4' energy: -38.251
flat angles C4'-P-C4' energy: -38.778
flat angles P-C4'-P energy: -28.770
tors. eta vs tors. theta energy: -64.574
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: 417
Temperature: 0.950000
Total energy: -526.096278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.096278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.096278 (E_RNA)
where:
Base-Base interactions energy: -339.896
where: short stacking energy: -159.615
Base-Backbone interact. energy: -0.636
local terms energy: -185.563606
where:
bonds (distance) C4'-P energy: -33.808
bonds (distance) P-C4' energy: -30.848
flat angles C4'-P-C4' energy: -43.527
flat angles P-C4'-P energy: -27.045
tors. eta vs tors. theta energy: -50.337
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: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -475.285205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.285205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.285205 (E_RNA)
where:
Base-Base interactions energy: -318.674
where: short stacking energy: -133.658
Base-Backbone interact. energy: 0.530
local terms energy: -157.141773
where:
bonds (distance) C4'-P energy: -28.301
bonds (distance) P-C4' energy: -32.858
flat angles C4'-P-C4' energy: -37.212
flat angles P-C4'-P energy: -23.731
tors. eta vs tors. theta energy: -35.039
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: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -491.344232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.344232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.344232 (E_RNA)
where:
Base-Base interactions energy: -311.258
where: short stacking energy: -151.853
Base-Backbone interact. energy: 1.694
local terms energy: -181.780330
where:
bonds (distance) C4'-P energy: -30.962
bonds (distance) P-C4' energy: -35.101
flat angles C4'-P-C4' energy: -37.087
flat angles P-C4'-P energy: -25.137
tors. eta vs tors. theta energy: -53.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -431.355881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.355881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.355881 (E_RNA)
where:
Base-Base interactions energy: -268.279
where: short stacking energy: -123.316
Base-Backbone interact. energy: -0.997
local terms energy: -162.080628
where:
bonds (distance) C4'-P energy: -29.764
bonds (distance) P-C4' energy: -33.585
flat angles C4'-P-C4' energy: -35.828
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -46.618
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: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -325.600986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.600986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.600986 (E_RNA)
where:
Base-Base interactions energy: -200.773
where: short stacking energy: -96.526
Base-Backbone interact. energy: 0.532
local terms energy: -125.360132
where:
bonds (distance) C4'-P energy: -31.514
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -189.611879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.611879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.611879 (E_RNA)
where:
Base-Base interactions energy: -61.244
where: short stacking energy: -43.564
Base-Backbone interact. energy: -0.861
local terms energy: -127.506309
where:
bonds (distance) C4'-P energy: -35.282
bonds (distance) P-C4' energy: -37.169
flat angles C4'-P-C4' energy: -26.562
flat angles P-C4'-P energy: -22.558
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -219.898304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.898304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.898304 (E_RNA)
where:
Base-Base interactions energy: -108.137
where: short stacking energy: -64.753
Base-Backbone interact. energy: 2.788
local terms energy: -114.548789
where:
bonds (distance) C4'-P energy: -27.324
bonds (distance) P-C4' energy: -34.179
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -25.504
tors. eta vs tors. theta energy: -8.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -183.343753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.343753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.343753 (E_RNA)
where:
Base-Base interactions energy: -80.289
where: short stacking energy: -45.187
Base-Backbone interact. energy: -0.897
local terms energy: -102.157435
where:
bonds (distance) C4'-P energy: -27.838
bonds (distance) P-C4' energy: -23.678
flat angles C4'-P-C4' energy: -28.198
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -142.549489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.549489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.549489 (E_RNA)
where:
Base-Base interactions energy: -48.463
where: short stacking energy: -44.156
Base-Backbone interact. energy: -0.514
local terms energy: -93.571665
where:
bonds (distance) C4'-P energy: -28.149
bonds (distance) P-C4' energy: -25.753
flat angles C4'-P-C4' energy: -33.527
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: 6.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -558.629055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.629055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.629055 (E_RNA)
where:
Base-Base interactions energy: -361.269
where: short stacking energy: -174.118
Base-Backbone interact. energy: -0.063
local terms energy: -197.296831
where:
bonds (distance) C4'-P energy: -34.509
bonds (distance) P-C4' energy: -38.934
flat angles C4'-P-C4' energy: -36.709
flat angles P-C4'-P energy: -25.528
tors. eta vs tors. theta energy: -61.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -534.276057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.276057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.276057 (E_RNA)
where:
Base-Base interactions energy: -350.781
where: short stacking energy: -170.829
Base-Backbone interact. energy: -0.022
local terms energy: -183.472202
where:
bonds (distance) C4'-P energy: -32.385
bonds (distance) P-C4' energy: -33.127
flat angles C4'-P-C4' energy: -34.691
flat angles P-C4'-P energy: -22.199
tors. eta vs tors. theta energy: -61.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -506.126538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.126538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.126538 (E_RNA)
where:
Base-Base interactions energy: -325.015
where: short stacking energy: -162.370
Base-Backbone interact. energy: -0.016
local terms energy: -181.095146
where:
bonds (distance) C4'-P energy: -36.608
bonds (distance) P-C4' energy: -32.416
flat angles C4'-P-C4' energy: -35.323
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: -53.309
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: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -470.862017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.862017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.862017 (E_RNA)
where:
Base-Base interactions energy: -307.220
where: short stacking energy: -134.287
Base-Backbone interact. energy: -0.136
local terms energy: -163.505994
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -31.417
flat angles C4'-P-C4' energy: -35.144
flat angles P-C4'-P energy: -31.923
tors. eta vs tors. theta energy: -40.730
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: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -451.954753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.954753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.954753 (E_RNA)
where:
Base-Base interactions energy: -288.254
where: short stacking energy: -126.159
Base-Backbone interact. energy: -0.983
local terms energy: -162.717719
where:
bonds (distance) C4'-P energy: -29.882
bonds (distance) P-C4' energy: -31.130
flat angles C4'-P-C4' energy: -37.017
flat angles P-C4'-P energy: -25.529
tors. eta vs tors. theta energy: -39.159
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: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -312.312005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.312005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.312005 (E_RNA)
where:
Base-Base interactions energy: -166.919
where: short stacking energy: -93.144
Base-Backbone interact. energy: -0.632
local terms energy: -144.760875
where:
bonds (distance) C4'-P energy: -31.292
bonds (distance) P-C4' energy: -33.490
flat angles C4'-P-C4' energy: -32.237
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -27.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -177.106666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.106666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.106666 (E_RNA)
where:
Base-Base interactions energy: -65.857
where: short stacking energy: -55.401
Base-Backbone interact. energy: -0.367
local terms energy: -110.882962
where:
bonds (distance) C4'-P energy: -36.763
bonds (distance) P-C4' energy: -34.385
flat angles C4'-P-C4' energy: -30.430
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -183.572633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.572633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.572633 (E_RNA)
where:
Base-Base interactions energy: -72.026
where: short stacking energy: -61.871
Base-Backbone interact. energy: 2.340
local terms energy: -113.886101
where:
bonds (distance) C4'-P energy: -28.111
bonds (distance) P-C4' energy: -34.177
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -11.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -163.858808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.858808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.858808 (E_RNA)
where:
Base-Base interactions energy: -70.147
where: short stacking energy: -39.232
Base-Backbone interact. energy: 0.599
local terms energy: -94.309999
where:
bonds (distance) C4'-P energy: -28.481
bonds (distance) P-C4' energy: -30.290
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: 1.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -148.958907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.958907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.958907 (E_RNA)
where:
Base-Base interactions energy: -55.926
where: short stacking energy: -37.464
Base-Backbone interact. energy: -0.456
local terms energy: -92.576599
where:
bonds (distance) C4'-P energy: -29.747
bonds (distance) P-C4' energy: -30.387
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: 3.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -553.553061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.553061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.553061 (E_RNA)
where:
Base-Base interactions energy: -367.220
where: short stacking energy: -163.051
Base-Backbone interact. energy: -0.109
local terms energy: -186.223740
where:
bonds (distance) C4'-P energy: -35.235
bonds (distance) P-C4' energy: -29.590
flat angles C4'-P-C4' energy: -41.113
flat angles P-C4'-P energy: -21.560
tors. eta vs tors. theta energy: -58.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -520.516419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.516419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.516419 (E_RNA)
where:
Base-Base interactions energy: -335.477
where: short stacking energy: -159.043
Base-Backbone interact. energy: -0.482
local terms energy: -184.558125
where:
bonds (distance) C4'-P energy: -32.168
bonds (distance) P-C4' energy: -27.547
flat angles C4'-P-C4' energy: -41.024
flat angles P-C4'-P energy: -26.020
tors. eta vs tors. theta energy: -57.799
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: 419
Temperature: 1.000000
Total energy: -482.562460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.562460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.562460 (E_RNA)
where:
Base-Base interactions energy: -305.640
where: short stacking energy: -140.845
Base-Backbone interact. energy: -0.528
local terms energy: -176.394337
where:
bonds (distance) C4'-P energy: -27.343
bonds (distance) P-C4' energy: -36.946
flat angles C4'-P-C4' energy: -38.102
flat angles P-C4'-P energy: -25.300
tors. eta vs tors. theta energy: -48.703
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: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -475.988844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.988844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.988844 (E_RNA)
where:
Base-Base interactions energy: -316.489
where: short stacking energy: -137.146
Base-Backbone interact. energy: -0.673
local terms energy: -158.827093
where:
bonds (distance) C4'-P energy: -27.357
bonds (distance) P-C4' energy: -32.880
flat angles C4'-P-C4' energy: -32.833
flat angles P-C4'-P energy: -18.642
tors. eta vs tors. theta energy: -47.116
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: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -443.638844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.638844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.638844 (E_RNA)
where:
Base-Base interactions energy: -280.886
where: short stacking energy: -135.801
Base-Backbone interact. energy: -2.040
local terms energy: -160.712001
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -31.369
flat angles C4'-P-C4' energy: -36.415
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -43.031
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: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -328.981464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.981464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.981464 (E_RNA)
where:
Base-Base interactions energy: -191.135
where: short stacking energy: -89.869
Base-Backbone interact. energy: -0.800
local terms energy: -137.046418
where:
bonds (distance) C4'-P energy: -28.107
bonds (distance) P-C4' energy: -29.534
flat angles C4'-P-C4' energy: -35.344
flat angles P-C4'-P energy: -25.845
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: 7, replica: 2
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -194.645692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.645692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.645692 (E_RNA)
where:
Base-Base interactions energy: -84.413
where: short stacking energy: -57.726
Base-Backbone interact. energy: -0.944
local terms energy: -109.288713
where:
bonds (distance) C4'-P energy: -31.516
bonds (distance) P-C4' energy: -28.426
flat angles C4'-P-C4' energy: -27.487
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -183.572121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.572121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.572121 (E_RNA)
where:
Base-Base interactions energy: -60.360
where: short stacking energy: -38.665
Base-Backbone interact. energy: -0.771
local terms energy: -122.441597
where:
bonds (distance) C4'-P energy: -30.757
bonds (distance) P-C4' energy: -36.657
flat angles C4'-P-C4' energy: -30.822
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -159.095620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.095620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.095620 (E_RNA)
where:
Base-Base interactions energy: -58.415
where: short stacking energy: -32.328
Base-Backbone interact. energy: -0.550
local terms energy: -100.130714
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -35.906
flat angles C4'-P-C4' energy: -29.060
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -152.943581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.943581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.943581 (E_RNA)
where:
Base-Base interactions energy: -43.393
where: short stacking energy: -39.963
Base-Backbone interact. energy: -0.125
local terms energy: -109.425330
where:
bonds (distance) C4'-P energy: -34.242
bonds (distance) P-C4' energy: -31.108
flat angles C4'-P-C4' energy: -27.213
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -0.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -547.867419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.867419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.867419 (E_RNA)
where:
Base-Base interactions energy: -353.651
where: short stacking energy: -172.925
Base-Backbone interact. energy: 0.958
local terms energy: -195.173743
where:
bonds (distance) C4'-P energy: -37.176
bonds (distance) P-C4' energy: -35.677
flat angles C4'-P-C4' energy: -39.025
flat angles P-C4'-P energy: -27.374
tors. eta vs tors. theta energy: -55.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -530.411057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.411057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.411057 (E_RNA)
where:
Base-Base interactions energy: -344.283
where: short stacking energy: -161.015
Base-Backbone interact. energy: -0.137
local terms energy: -185.990777
where:
bonds (distance) C4'-P energy: -35.248
bonds (distance) P-C4' energy: -30.810
flat angles C4'-P-C4' energy: -38.243
flat angles P-C4'-P energy: -24.935
tors. eta vs tors. theta energy: -56.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -485.161031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.161031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.161031 (E_RNA)
where:
Base-Base interactions energy: -310.974
where: short stacking energy: -132.835
Base-Backbone interact. energy: 0.945
local terms energy: -175.132190
where:
bonds (distance) C4'-P energy: -33.904
bonds (distance) P-C4' energy: -36.970
flat angles C4'-P-C4' energy: -34.851
flat angles P-C4'-P energy: -27.467
tors. eta vs tors. theta energy: -41.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -468.990662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.990662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.990662 (E_RNA)
where:
Base-Base interactions energy: -291.613
where: short stacking energy: -136.750
Base-Backbone interact. energy: -0.117
local terms energy: -177.260158
where:
bonds (distance) C4'-P energy: -38.896
bonds (distance) P-C4' energy: -35.825
flat angles C4'-P-C4' energy: -40.449
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -45.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -443.675713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.675713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.675713 (E_RNA)
where:
Base-Base interactions energy: -291.808
where: short stacking energy: -121.908
Base-Backbone interact. energy: -1.003
local terms energy: -150.865035
where:
bonds (distance) C4'-P energy: -32.574
bonds (distance) P-C4' energy: -33.041
flat angles C4'-P-C4' energy: -25.132
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -42.742
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: 6, replica: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -346.210194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.210194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.210194 (E_RNA)
where:
Base-Base interactions energy: -188.840
where: short stacking energy: -90.484
Base-Backbone interact. energy: -0.669
local terms energy: -156.701282
where:
bonds (distance) C4'-P energy: -38.866
bonds (distance) P-C4' energy: -31.878
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -24.005
tors. eta vs tors. theta energy: -30.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -241.245389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.245389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.245389 (E_RNA)
where:
Base-Base interactions energy: -112.923
where: short stacking energy: -65.755
Base-Backbone interact. energy: -0.492
local terms energy: -127.830456
where:
bonds (distance) C4'-P energy: -36.032
bonds (distance) P-C4' energy: -31.959
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -19.164
tors. eta vs tors. theta energy: -13.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -179.688661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.688661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.688661 (E_RNA)
where:
Base-Base interactions energy: -66.550
where: short stacking energy: -59.093
Base-Backbone interact. energy: -0.497
local terms energy: -112.641693
where:
bonds (distance) C4'-P energy: -36.788
bonds (distance) P-C4' energy: -31.142
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -12.336
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: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -154.396803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.396803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.396803 (E_RNA)
where:
Base-Base interactions energy: -63.854
where: short stacking energy: -44.739
Base-Backbone interact. energy: -0.335
local terms energy: -90.208511
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -36.670
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -4.536
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: 4
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -157.662693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.662693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.662693 (E_RNA)
where:
Base-Base interactions energy: -57.547
where: short stacking energy: -47.693
Base-Backbone interact. energy: -0.721
local terms energy: -99.394251
where:
bonds (distance) C4'-P energy: -30.968
bonds (distance) P-C4' energy: -32.514
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -545.922834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.922834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.922834 (E_RNA)
where:
Base-Base interactions energy: -343.485
where: short stacking energy: -161.736
Base-Backbone interact. energy: -0.044
local terms energy: -202.394349
where:
bonds (distance) C4'-P energy: -36.376
bonds (distance) P-C4' energy: -38.755
flat angles C4'-P-C4' energy: -43.072
flat angles P-C4'-P energy: -26.041
tors. eta vs tors. theta energy: -58.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -518.329738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.329738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.329738 (E_RNA)
where:
Base-Base interactions energy: -347.272
where: short stacking energy: -160.838
Base-Backbone interact. energy: -0.089
local terms energy: -170.968973
where:
bonds (distance) C4'-P energy: -31.611
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -34.165
flat angles P-C4'-P energy: -25.388
tors. eta vs tors. theta energy: -55.998
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: 8
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -498.769909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.769909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.769909 (E_RNA)
where:
Base-Base interactions energy: -340.463
where: short stacking energy: -142.736
Base-Backbone interact. energy: -0.942
local terms energy: -157.364143
where:
bonds (distance) C4'-P energy: -32.545
bonds (distance) P-C4' energy: -32.262
flat angles C4'-P-C4' energy: -33.407
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -41.783
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: 4, replica: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -469.863191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.863191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.863191 (E_RNA)
where:
Base-Base interactions energy: -302.953
where: short stacking energy: -125.284
Base-Backbone interact. energy: -0.829
local terms energy: -166.081480
where:
bonds (distance) C4'-P energy: -35.950
bonds (distance) P-C4' energy: -31.707
flat angles C4'-P-C4' energy: -40.003
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -37.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -458.168974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.168974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.168974 (E_RNA)
where:
Base-Base interactions energy: -303.134
where: short stacking energy: -141.406
Base-Backbone interact. energy: -0.162
local terms energy: -154.873588
where:
bonds (distance) C4'-P energy: -30.001
bonds (distance) P-C4' energy: -34.437
flat angles C4'-P-C4' energy: -31.903
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: -38.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -335.048103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.048103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.048103 (E_RNA)
where:
Base-Base interactions energy: -201.766
where: short stacking energy: -92.634
Base-Backbone interact. energy: -0.709
local terms energy: -132.573132
where:
bonds (distance) C4'-P energy: -32.282
bonds (distance) P-C4' energy: -34.638
flat angles C4'-P-C4' energy: -27.290
flat angles P-C4'-P energy: -15.418
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: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -286.981104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.981104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.981104 (E_RNA)
where:
Base-Base interactions energy: -160.737
where: short stacking energy: -78.264
Base-Backbone interact. energy: -0.866
local terms energy: -125.377466
where:
bonds (distance) C4'-P energy: -31.266
bonds (distance) P-C4' energy: -29.295
flat angles C4'-P-C4' energy: -31.947
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -14.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -173.483449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.483449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.483449 (E_RNA)
where:
Base-Base interactions energy: -71.109
where: short stacking energy: -54.176
Base-Backbone interact. energy: -0.438
local terms energy: -101.935983
where:
bonds (distance) C4'-P energy: -30.539
bonds (distance) P-C4' energy: -30.960
flat angles C4'-P-C4' energy: -30.429
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: 6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -150.976162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.976162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.976162 (E_RNA)
where:
Base-Base interactions energy: -54.951
where: short stacking energy: -41.626
Base-Backbone interact. energy: -0.327
local terms energy: -95.697627
where:
bonds (distance) C4'-P energy: -24.850
bonds (distance) P-C4' energy: -25.763
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -20.272
tors. eta vs tors. theta energy: -1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -137.832923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.832923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.832923 (E_RNA)
where:
Base-Base interactions energy: -48.208
where: short stacking energy: -40.228
Base-Backbone interact. energy: 1.382
local terms energy: -91.006309
where:
bonds (distance) C4'-P energy: -21.950
bonds (distance) P-C4' energy: -33.724
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -20.168
tors. eta vs tors. theta energy: 1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -555.741544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.741544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.741544 (E_RNA)
where:
Base-Base interactions energy: -360.194
where: short stacking energy: -165.438
Base-Backbone interact. energy: 0.560
local terms energy: -196.107433
where:
bonds (distance) C4'-P energy: -39.296
bonds (distance) P-C4' energy: -32.956
flat angles C4'-P-C4' energy: -39.760
flat angles P-C4'-P energy: -26.719
tors. eta vs tors. theta energy: -57.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -553.069785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.069785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.069785 (E_RNA)
where:
Base-Base interactions energy: -357.322
where: short stacking energy: -173.331
Base-Backbone interact. energy: 0.367
local terms energy: -196.114453
where:
bonds (distance) C4'-P energy: -36.546
bonds (distance) P-C4' energy: -35.043
flat angles C4'-P-C4' energy: -41.627
flat angles P-C4'-P energy: -23.789
tors. eta vs tors. theta energy: -59.109
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: 8
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -510.589050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.589050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.589050 (E_RNA)
where:
Base-Base interactions energy: -351.775
where: short stacking energy: -135.491
Base-Backbone interact. energy: -0.836
local terms energy: -157.978202
where:
bonds (distance) C4'-P energy: -31.032
bonds (distance) P-C4' energy: -32.865
flat angles C4'-P-C4' energy: -37.839
flat angles P-C4'-P energy: -20.047
tors. eta vs tors. theta energy: -36.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -482.763888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.763888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.763888 (E_RNA)
where:
Base-Base interactions energy: -325.331
where: short stacking energy: -148.645
Base-Backbone interact. energy: -0.409
local terms energy: -157.023533
where:
bonds (distance) C4'-P energy: -26.878
bonds (distance) P-C4' energy: -29.818
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -20.542
tors. eta vs tors. theta energy: -49.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -462.304458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.304458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.304458 (E_RNA)
where:
Base-Base interactions energy: -299.878
where: short stacking energy: -152.971
Base-Backbone interact. energy: -0.038
local terms energy: -162.388805
where:
bonds (distance) C4'-P energy: -24.573
bonds (distance) P-C4' energy: -31.281
flat angles C4'-P-C4' energy: -34.649
flat angles P-C4'-P energy: -20.644
tors. eta vs tors. theta energy: -51.242
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: 422
Temperature: 1.150000
Total energy: -364.307072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.307072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.307072 (E_RNA)
where:
Base-Base interactions energy: -224.724
where: short stacking energy: -91.561
Base-Backbone interact. energy: -0.637
local terms energy: -138.946712
where:
bonds (distance) C4'-P energy: -32.849
bonds (distance) P-C4' energy: -38.432
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -28.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -279.361676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.361676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.361676 (E_RNA)
where:
Base-Base interactions energy: -156.404
where: short stacking energy: -83.743
Base-Backbone interact. energy: -1.474
local terms energy: -121.483553
where:
bonds (distance) C4'-P energy: -29.777
bonds (distance) P-C4' energy: -26.734
flat angles C4'-P-C4' energy: -25.118
flat angles P-C4'-P energy: -21.280
tors. eta vs tors. theta energy: -18.575
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: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -163.520671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.520671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.520671 (E_RNA)
where:
Base-Base interactions energy: -57.330
where: short stacking energy: -49.382
Base-Backbone interact. energy: -0.628
local terms energy: -105.562657
where:
bonds (distance) C4'-P energy: -31.286
bonds (distance) P-C4' energy: -32.032
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -2.592
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: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -162.980110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.980110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.980110 (E_RNA)
where:
Base-Base interactions energy: -57.051
where: short stacking energy: -31.363
Base-Backbone interact. energy: -0.632
local terms energy: -105.296930
where:
bonds (distance) C4'-P energy: -33.531
bonds (distance) P-C4' energy: -39.585
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -1.095
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: 5
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -153.090672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.090672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.090672 (E_RNA)
where:
Base-Base interactions energy: -42.742
where: short stacking energy: -31.031
Base-Backbone interact. energy: -1.311
local terms energy: -109.037112
where:
bonds (distance) C4'-P energy: -31.910
bonds (distance) P-C4' energy: -33.989
flat angles C4'-P-C4' energy: -25.678
flat angles P-C4'-P energy: -21.177
tors. eta vs tors. theta energy: 3.717
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: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -551.980548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.980548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.980548 (E_RNA)
where:
Base-Base interactions energy: -358.865
where: short stacking energy: -155.746
Base-Backbone interact. energy: -0.010
local terms energy: -193.105867
where:
bonds (distance) C4'-P energy: -36.577
bonds (distance) P-C4' energy: -37.126
flat angles C4'-P-C4' energy: -38.577
flat angles P-C4'-P energy: -24.813
tors. eta vs tors. theta energy: -56.013
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: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -556.943384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.943384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.943384 (E_RNA)
where:
Base-Base interactions energy: -360.461
where: short stacking energy: -167.306
Base-Backbone interact. energy: -0.009
local terms energy: -196.473770
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -37.905
flat angles C4'-P-C4' energy: -36.077
flat angles P-C4'-P energy: -27.011
tors. eta vs tors. theta energy: -64.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -501.431125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.431125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.431125 (E_RNA)
where:
Base-Base interactions energy: -340.055
where: short stacking energy: -136.866
Base-Backbone interact. energy: -0.612
local terms energy: -160.764287
where:
bonds (distance) C4'-P energy: -31.685
bonds (distance) P-C4' energy: -24.348
flat angles C4'-P-C4' energy: -37.375
flat angles P-C4'-P energy: -25.875
tors. eta vs tors. theta energy: -41.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -487.871195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.871195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.871195 (E_RNA)
where:
Base-Base interactions energy: -311.973
where: short stacking energy: -135.741
Base-Backbone interact. energy: -0.342
local terms energy: -175.556407
where:
bonds (distance) C4'-P energy: -33.337
bonds (distance) P-C4' energy: -38.920
flat angles C4'-P-C4' energy: -35.290
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -50.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -451.726232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.726232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.726232 (E_RNA)
where:
Base-Base interactions energy: -288.532
where: short stacking energy: -143.211
Base-Backbone interact. energy: -0.107
local terms energy: -163.087608
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -32.303
flat angles C4'-P-C4' energy: -36.743
flat angles P-C4'-P energy: -23.825
tors. eta vs tors. theta energy: -45.713
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: 423
Temperature: 1.150000
Total energy: -406.773493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.773493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.773493 (E_RNA)
where:
Base-Base interactions energy: -254.347
where: short stacking energy: -115.229
Base-Backbone interact. energy: -0.184
local terms energy: -152.242233
where:
bonds (distance) C4'-P energy: -37.986
bonds (distance) P-C4' energy: -32.277
flat angles C4'-P-C4' energy: -29.083
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -35.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -308.466323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.466323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.466323 (E_RNA)
where:
Base-Base interactions energy: -184.766
where: short stacking energy: -69.346
Base-Backbone interact. energy: 0.626
local terms energy: -124.325852
where:
bonds (distance) C4'-P energy: -26.812
bonds (distance) P-C4' energy: -31.895
flat angles C4'-P-C4' energy: -28.180
flat angles P-C4'-P energy: -21.816
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -182.375758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.375758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.375758 (E_RNA)
where:
Base-Base interactions energy: -75.473
where: short stacking energy: -62.415
Base-Backbone interact. energy: 0.739
local terms energy: -107.641560
where:
bonds (distance) C4'-P energy: -30.565
bonds (distance) P-C4' energy: -29.986
flat angles C4'-P-C4' energy: -31.635
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -4.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -169.555514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.555514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.555514 (E_RNA)
where:
Base-Base interactions energy: -68.328
where: short stacking energy: -32.225
Base-Backbone interact. energy: -1.845
local terms energy: -99.382806
where:
bonds (distance) C4'-P energy: -34.492
bonds (distance) P-C4' energy: -35.392
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -22.936
tors. eta vs tors. theta energy: 7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -152.891468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.891468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.891468 (E_RNA)
where:
Base-Base interactions energy: -59.697
where: short stacking energy: -25.045
Base-Backbone interact. energy: -0.658
local terms energy: -92.535935
where:
bonds (distance) C4'-P energy: -26.448
bonds (distance) P-C4' energy: -32.957
flat angles C4'-P-C4' energy: -29.814
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: 12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -548.151814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.151814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.151814 (E_RNA)
where:
Base-Base interactions energy: -341.716
where: short stacking energy: -158.157
Base-Backbone interact. energy: 0.638
local terms energy: -207.073611
where:
bonds (distance) C4'-P energy: -38.276
bonds (distance) P-C4' energy: -37.492
flat angles C4'-P-C4' energy: -41.709
flat angles P-C4'-P energy: -32.212
tors. eta vs tors. theta energy: -57.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -527.399708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.399708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.399708 (E_RNA)
where:
Base-Base interactions energy: -344.576
where: short stacking energy: -170.108
Base-Backbone interact. energy: -0.043
local terms energy: -182.780890
where:
bonds (distance) C4'-P energy: -30.877
bonds (distance) P-C4' energy: -29.992
flat angles C4'-P-C4' energy: -36.870
flat angles P-C4'-P energy: -28.755
tors. eta vs tors. theta energy: -56.287
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: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -504.332452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.332452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.332452 (E_RNA)
where:
Base-Base interactions energy: -346.199
where: short stacking energy: -133.791
Base-Backbone interact. energy: 1.835
local terms energy: -159.968309
where:
bonds (distance) C4'-P energy: -39.498
bonds (distance) P-C4' energy: -34.269
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -20.000
tors. eta vs tors. theta energy: -35.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -477.303098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.303098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.303098 (E_RNA)
where:
Base-Base interactions energy: -317.693
where: short stacking energy: -144.264
Base-Backbone interact. energy: -1.845
local terms energy: -157.765178
where:
bonds (distance) C4'-P energy: -31.523
bonds (distance) P-C4' energy: -28.865
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -20.472
tors. eta vs tors. theta energy: -46.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -445.571744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.571744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.571744 (E_RNA)
where:
Base-Base interactions energy: -282.546
where: short stacking energy: -116.153
Base-Backbone interact. energy: -0.027
local terms energy: -162.998942
where:
bonds (distance) C4'-P energy: -29.418
bonds (distance) P-C4' energy: -39.040
flat angles C4'-P-C4' energy: -31.579
flat angles P-C4'-P energy: -23.690
tors. eta vs tors. theta energy: -39.272
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: 6, replica: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -372.821741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.821741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.821741 (E_RNA)
where:
Base-Base interactions energy: -242.880
where: short stacking energy: -97.112
Base-Backbone interact. energy: -0.688
local terms energy: -129.253508
where:
bonds (distance) C4'-P energy: -29.346
bonds (distance) P-C4' energy: -26.947
flat angles C4'-P-C4' energy: -27.924
flat angles P-C4'-P energy: -22.611
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -278.712874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.712874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.712874 (E_RNA)
where:
Base-Base interactions energy: -149.759
where: short stacking energy: -76.303
Base-Backbone interact. energy: -1.071
local terms energy: -127.883075
where:
bonds (distance) C4'-P energy: -29.325
bonds (distance) P-C4' energy: -27.989
flat angles C4'-P-C4' energy: -32.482
flat angles P-C4'-P energy: -25.069
tors. eta vs tors. theta energy: -13.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -167.122008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.122008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.122008 (E_RNA)
where:
Base-Base interactions energy: -68.845
where: short stacking energy: -47.984
Base-Backbone interact. energy: -0.485
local terms energy: -97.791263
where:
bonds (distance) C4'-P energy: -25.693
bonds (distance) P-C4' energy: -26.715
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -22.936
tors. eta vs tors. theta energy: -1.247
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: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -179.201404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.201404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.201404 (E_RNA)
where:
Base-Base interactions energy: -73.522
where: short stacking energy: -48.503
Base-Backbone interact. energy: 0.664
local terms energy: -106.343334
where:
bonds (distance) C4'-P energy: -29.776
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -26.402
flat angles P-C4'-P energy: -19.269
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -145.147230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.147230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.147230 (E_RNA)
where:
Base-Base interactions energy: -45.579
where: short stacking energy: -35.341
Base-Backbone interact. energy: -0.581
local terms energy: -98.987120
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -29.640
flat angles P-C4'-P energy: -18.554
tors. eta vs tors. theta energy: 0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -556.781477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.781477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.781477 (E_RNA)
where:
Base-Base interactions energy: -371.037
where: short stacking energy: -164.595
Base-Backbone interact. energy: -0.283
local terms energy: -185.461083
where:
bonds (distance) C4'-P energy: -28.592
bonds (distance) P-C4' energy: -36.883
flat angles C4'-P-C4' energy: -34.981
flat angles P-C4'-P energy: -26.805
tors. eta vs tors. theta energy: -58.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -545.312966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.312966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.312966 (E_RNA)
where:
Base-Base interactions energy: -355.332
where: short stacking energy: -169.776
Base-Backbone interact. energy: -0.026
local terms energy: -189.955214
where:
bonds (distance) C4'-P energy: -36.105
bonds (distance) P-C4' energy: -35.994
flat angles C4'-P-C4' energy: -33.405
flat angles P-C4'-P energy: -24.764
tors. eta vs tors. theta energy: -59.688
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: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -503.458706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.458706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.458706 (E_RNA)
where:
Base-Base interactions energy: -364.181
where: short stacking energy: -144.700
Base-Backbone interact. energy: -0.677
local terms energy: -138.600662
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -31.762
flat angles C4'-P-C4' energy: -27.655
flat angles P-C4'-P energy: -20.185
tors. eta vs tors. theta energy: -36.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -452.472154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.472154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.472154 (E_RNA)
where:
Base-Base interactions energy: -290.161
where: short stacking energy: -126.961
Base-Backbone interact. energy: 1.974
local terms energy: -164.285438
where:
bonds (distance) C4'-P energy: -34.871
bonds (distance) P-C4' energy: -35.538
flat angles C4'-P-C4' energy: -34.864
flat angles P-C4'-P energy: -22.410
tors. eta vs tors. theta energy: -36.602
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: 1
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -445.103740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.103740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.103740 (E_RNA)
where:
Base-Base interactions energy: -283.356
where: short stacking energy: -136.656
Base-Backbone interact. energy: -0.060
local terms energy: -161.687303
where:
bonds (distance) C4'-P energy: -35.133
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -37.789
flat angles P-C4'-P energy: -22.334
tors. eta vs tors. theta energy: -43.837
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: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -404.796173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.796173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.796173 (E_RNA)
where:
Base-Base interactions energy: -251.468
where: short stacking energy: -120.776
Base-Backbone interact. energy: -0.460
local terms energy: -152.867867
where:
bonds (distance) C4'-P energy: -32.244
bonds (distance) P-C4' energy: -36.762
flat angles C4'-P-C4' energy: -35.766
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -32.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -287.186699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.186699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.186699 (E_RNA)
where:
Base-Base interactions energy: -159.907
where: short stacking energy: -78.239
Base-Backbone interact. energy: 0.566
local terms energy: -127.845481
where:
bonds (distance) C4'-P energy: -27.881
bonds (distance) P-C4' energy: -31.207
flat angles C4'-P-C4' energy: -36.827
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: -14.391
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: 5
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -197.584934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.584934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.584934 (E_RNA)
where:
Base-Base interactions energy: -77.975
where: short stacking energy: -49.783
Base-Backbone interact. energy: 0.780
local terms energy: -120.389434
where:
bonds (distance) C4'-P energy: -30.993
bonds (distance) P-C4' energy: -39.046
flat angles C4'-P-C4' energy: -25.689
flat angles P-C4'-P energy: -19.116
tors. eta vs tors. theta energy: -5.546
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: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -157.344666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.344666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.344666 (E_RNA)
where:
Base-Base interactions energy: -49.850
where: short stacking energy: -32.915
Base-Backbone interact. energy: -2.284
local terms energy: -105.210172
where:
bonds (distance) C4'-P energy: -29.469
bonds (distance) P-C4' energy: -36.022
flat angles C4'-P-C4' energy: -30.073
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: 3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -144.375618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.375618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.375618 (E_RNA)
where:
Base-Base interactions energy: -49.170
where: short stacking energy: -25.385
Base-Backbone interact. energy: 0.112
local terms energy: -95.317868
where:
bonds (distance) C4'-P energy: -30.203
bonds (distance) P-C4' energy: -27.367
flat angles C4'-P-C4' energy: -25.974
flat angles P-C4'-P energy: -17.561
tors. eta vs tors. theta energy: 5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -552.900164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.900164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.900164 (E_RNA)
where:
Base-Base interactions energy: -359.168
where: short stacking energy: -179.720
Base-Backbone interact. energy: -0.014
local terms energy: -193.717560
where:
bonds (distance) C4'-P energy: -34.431
bonds (distance) P-C4' energy: -33.615
flat angles C4'-P-C4' energy: -37.336
flat angles P-C4'-P energy: -26.514
tors. eta vs tors. theta energy: -61.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -536.699344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.699344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.699344 (E_RNA)
where:
Base-Base interactions energy: -343.479
where: short stacking energy: -168.480
Base-Backbone interact. energy: -0.299
local terms energy: -192.920984
where:
bonds (distance) C4'-P energy: -31.332
bonds (distance) P-C4' energy: -37.064
flat angles C4'-P-C4' energy: -39.409
flat angles P-C4'-P energy: -28.845
tors. eta vs tors. theta energy: -56.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -522.834577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.834577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.834577 (E_RNA)
where:
Base-Base interactions energy: -362.034
where: short stacking energy: -140.739
Base-Backbone interact. energy: -1.004
local terms energy: -159.796822
where:
bonds (distance) C4'-P energy: -27.830
bonds (distance) P-C4' energy: -34.346
flat angles C4'-P-C4' energy: -35.804
flat angles P-C4'-P energy: -22.528
tors. eta vs tors. theta energy: -39.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -467.715701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.715701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.715701 (E_RNA)
where:
Base-Base interactions energy: -308.423
where: short stacking energy: -130.708
Base-Backbone interact. energy: -0.826
local terms energy: -158.466700
where:
bonds (distance) C4'-P energy: -33.955
bonds (distance) P-C4' energy: -24.748
flat angles C4'-P-C4' energy: -35.699
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -41.300
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: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -400.456577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.456577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.456577 (E_RNA)
where:
Base-Base interactions energy: -253.137
where: short stacking energy: -130.955
Base-Backbone interact. energy: -0.374
local terms energy: -146.945673
where:
bonds (distance) C4'-P energy: -27.429
bonds (distance) P-C4' energy: -32.051
flat angles C4'-P-C4' energy: -36.143
flat angles P-C4'-P energy: -21.488
tors. eta vs tors. theta energy: -29.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -438.839935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.839935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.839935 (E_RNA)
where:
Base-Base interactions energy: -290.536
where: short stacking energy: -132.887
Base-Backbone interact. energy: -0.100
local terms energy: -148.203971
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -33.889
flat angles C4'-P-C4' energy: -30.744
flat angles P-C4'-P energy: -22.327
tors. eta vs tors. theta energy: -39.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -213.632804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.632804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.632804 (E_RNA)
where:
Base-Base interactions energy: -91.929
where: short stacking energy: -60.662
Base-Backbone interact. energy: -0.707
local terms energy: -120.996440
where:
bonds (distance) C4'-P energy: -35.220
bonds (distance) P-C4' energy: -31.517
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -245.802715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.802715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.802715 (E_RNA)
where:
Base-Base interactions energy: -128.196
where: short stacking energy: -67.033
Base-Backbone interact. energy: -1.221
local terms energy: -116.385078
where:
bonds (distance) C4'-P energy: -25.385
bonds (distance) P-C4' energy: -30.221
flat angles C4'-P-C4' energy: -28.933
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -13.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -173.956922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.956922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.956922 (E_RNA)
where:
Base-Base interactions energy: -60.566
where: short stacking energy: -50.580
Base-Backbone interact. energy: -0.845
local terms energy: -112.545654
where:
bonds (distance) C4'-P energy: -35.075
bonds (distance) P-C4' energy: -37.261
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -7.316
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: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -149.705251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.705251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.705251 (E_RNA)
where:
Base-Base interactions energy: -42.906
where: short stacking energy: -28.220
Base-Backbone interact. energy: -1.293
local terms energy: -105.506368
where:
bonds (distance) C4'-P energy: -31.565
bonds (distance) P-C4' energy: -32.285
flat angles C4'-P-C4' energy: -26.972
flat angles P-C4'-P energy: -18.779
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: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -558.209544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.209544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.209544 (E_RNA)
where:
Base-Base interactions energy: -360.479
where: short stacking energy: -175.706
Base-Backbone interact. energy: -0.542
local terms energy: -197.189025
where:
bonds (distance) C4'-P energy: -32.266
bonds (distance) P-C4' energy: -33.920
flat angles C4'-P-C4' energy: -42.790
flat angles P-C4'-P energy: -27.432
tors. eta vs tors. theta energy: -60.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -543.209010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.209010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.209010 (E_RNA)
where:
Base-Base interactions energy: -368.799
where: short stacking energy: -165.922
Base-Backbone interact. energy: -0.021
local terms energy: -174.389697
where:
bonds (distance) C4'-P energy: -31.677
bonds (distance) P-C4' energy: -27.120
flat angles C4'-P-C4' energy: -34.538
flat angles P-C4'-P energy: -27.326
tors. eta vs tors. theta energy: -53.729
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: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -495.649159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.649159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.649159 (E_RNA)
where:
Base-Base interactions energy: -336.834
where: short stacking energy: -115.301
Base-Backbone interact. energy: -0.520
local terms energy: -158.294599
where:
bonds (distance) C4'-P energy: -32.800
bonds (distance) P-C4' energy: -34.806
flat angles C4'-P-C4' energy: -32.577
flat angles P-C4'-P energy: -21.543
tors. eta vs tors. theta energy: -36.568
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: 6
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -478.747565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.747565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.747565 (E_RNA)
where:
Base-Base interactions energy: -301.563
where: short stacking energy: -137.398
Base-Backbone interact. energy: -1.831
local terms energy: -175.353715
where:
bonds (distance) C4'-P energy: -33.285
bonds (distance) P-C4' energy: -38.553
flat angles C4'-P-C4' energy: -29.966
flat angles P-C4'-P energy: -29.214
tors. eta vs tors. theta energy: -44.335
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: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -379.447661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.447661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.447661 (E_RNA)
where:
Base-Base interactions energy: -239.286
where: short stacking energy: -108.846
Base-Backbone interact. energy: -0.381
local terms energy: -139.781145
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -30.192
flat angles C4'-P-C4' energy: -37.952
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -27.359
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: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -426.020234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.020234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.020234 (E_RNA)
where:
Base-Base interactions energy: -275.445
where: short stacking energy: -119.193
Base-Backbone interact. energy: -0.166
local terms energy: -150.408599
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -36.591
flat angles C4'-P-C4' energy: -33.354
flat angles P-C4'-P energy: -18.946
tors. eta vs tors. theta energy: -38.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -183.216333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.216333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.216333 (E_RNA)
where:
Base-Base interactions energy: -62.711
where: short stacking energy: -49.163
Base-Backbone interact. energy: -0.337
local terms energy: -120.168469
where:
bonds (distance) C4'-P energy: -29.718
bonds (distance) P-C4' energy: -36.755
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: -6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -188.412158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.412158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.412158 (E_RNA)
where:
Base-Base interactions energy: -85.255
where: short stacking energy: -55.195
Base-Backbone interact. energy: -0.471
local terms energy: -102.686809
where:
bonds (distance) C4'-P energy: -39.318
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -170.715296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.715296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.715296 (E_RNA)
where:
Base-Base interactions energy: -72.239
where: short stacking energy: -28.374
Base-Backbone interact. energy: -0.484
local terms energy: -97.992818
where:
bonds (distance) C4'-P energy: -32.910
bonds (distance) P-C4' energy: -29.166
flat angles C4'-P-C4' energy: -25.242
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: 10.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -149.700967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.700967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.700967 (E_RNA)
where:
Base-Base interactions energy: -51.293
where: short stacking energy: -30.524
Base-Backbone interact. energy: -0.601
local terms energy: -97.806767
where:
bonds (distance) C4'-P energy: -26.031
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: 2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -545.810849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.810849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.810849 (E_RNA)
where:
Base-Base interactions energy: -358.669
where: short stacking energy: -172.695
Base-Backbone interact. energy: -0.005
local terms energy: -187.137233
where:
bonds (distance) C4'-P energy: -35.548
bonds (distance) P-C4' energy: -35.711
flat angles C4'-P-C4' energy: -36.204
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -56.301
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: 9
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -543.350880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.350880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.350880 (E_RNA)
where:
Base-Base interactions energy: -363.388
where: short stacking energy: -154.161
Base-Backbone interact. energy: 0.349
local terms energy: -180.311799
where:
bonds (distance) C4'-P energy: -34.825
bonds (distance) P-C4' energy: -31.803
flat angles C4'-P-C4' energy: -36.353
flat angles P-C4'-P energy: -25.987
tors. eta vs tors. theta energy: -51.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -494.085684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.085684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.085684 (E_RNA)
where:
Base-Base interactions energy: -310.856
where: short stacking energy: -141.993
Base-Backbone interact. energy: -2.222
local terms energy: -181.008255
where:
bonds (distance) C4'-P energy: -34.285
bonds (distance) P-C4' energy: -37.791
flat angles C4'-P-C4' energy: -39.994
flat angles P-C4'-P energy: -19.355
tors. eta vs tors. theta energy: -49.584
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: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -485.604149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.604149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.604149 (E_RNA)
where:
Base-Base interactions energy: -311.554
where: short stacking energy: -125.804
Base-Backbone interact. energy: 0.234
local terms energy: -174.284314
where:
bonds (distance) C4'-P energy: -33.227
bonds (distance) P-C4' energy: -35.717
flat angles C4'-P-C4' energy: -38.183
flat angles P-C4'-P energy: -23.066
tors. eta vs tors. theta energy: -44.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -447.342035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.342035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.342035 (E_RNA)
where:
Base-Base interactions energy: -277.390
where: short stacking energy: -129.727
Base-Backbone interact. energy: -0.545
local terms energy: -169.406879
where:
bonds (distance) C4'-P energy: -35.207
bonds (distance) P-C4' energy: -32.454
flat angles C4'-P-C4' energy: -37.120
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -40.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -354.992870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.992870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.992870 (E_RNA)
where:
Base-Base interactions energy: -220.397
where: short stacking energy: -98.080
Base-Backbone interact. energy: -1.291
local terms energy: -133.304996
where:
bonds (distance) C4'-P energy: -28.779
bonds (distance) P-C4' energy: -27.948
flat angles C4'-P-C4' energy: -35.688
flat angles P-C4'-P energy: -22.539
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -218.455821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.455821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.455821 (E_RNA)
where:
Base-Base interactions energy: -101.605
where: short stacking energy: -62.262
Base-Backbone interact. energy: -0.427
local terms energy: -116.424439
where:
bonds (distance) C4'-P energy: -35.140
bonds (distance) P-C4' energy: -29.984
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -8.811
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: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -185.738026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.738026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.738026 (E_RNA)
where:
Base-Base interactions energy: -67.663
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.252
local terms energy: -117.823008
where:
bonds (distance) C4'-P energy: -33.859
bonds (distance) P-C4' energy: -30.065
flat angles C4'-P-C4' energy: -26.260
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -11.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -150.177795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.177795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.177795 (E_RNA)
where:
Base-Base interactions energy: -45.412
where: short stacking energy: -29.603
Base-Backbone interact. energy: -0.933
local terms energy: -103.832267
where:
bonds (distance) C4'-P energy: -28.985
bonds (distance) P-C4' energy: -38.400
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: 3.280
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: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -172.271680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.271680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.271680 (E_RNA)
where:
Base-Base interactions energy: -62.863
where: short stacking energy: -42.047
Base-Backbone interact. energy: -0.651
local terms energy: -108.757718
where:
bonds (distance) C4'-P energy: -25.791
bonds (distance) P-C4' energy: -33.027
flat angles C4'-P-C4' energy: -31.327
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: 3.010
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: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -536.600318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.600318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.600318 (E_RNA)
where:
Base-Base interactions energy: -346.555
where: short stacking energy: -162.989
Base-Backbone interact. energy: -0.143
local terms energy: -189.902357
where:
bonds (distance) C4'-P energy: -35.908
bonds (distance) P-C4' energy: -34.200
flat angles C4'-P-C4' energy: -36.716
flat angles P-C4'-P energy: -29.522
tors. eta vs tors. theta energy: -53.556
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: 9
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -534.376404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.376404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.376404 (E_RNA)
where:
Base-Base interactions energy: -348.679
where: short stacking energy: -168.197
Base-Backbone interact. energy: 0.352
local terms energy: -186.048524
where:
bonds (distance) C4'-P energy: -35.674
bonds (distance) P-C4' energy: -30.707
flat angles C4'-P-C4' energy: -34.585
flat angles P-C4'-P energy: -28.877
tors. eta vs tors. theta energy: -56.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -494.274397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.274397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.274397 (E_RNA)
where:
Base-Base interactions energy: -318.830
where: short stacking energy: -142.341
Base-Backbone interact. energy: -1.361
local terms energy: -174.082947
where:
bonds (distance) C4'-P energy: -29.797
bonds (distance) P-C4' energy: -28.710
flat angles C4'-P-C4' energy: -40.467
flat angles P-C4'-P energy: -29.133
tors. eta vs tors. theta energy: -45.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -467.927346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.927346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.927346 (E_RNA)
where:
Base-Base interactions energy: -293.947
where: short stacking energy: -141.603
Base-Backbone interact. energy: -0.374
local terms energy: -173.606712
where:
bonds (distance) C4'-P energy: -36.451
bonds (distance) P-C4' energy: -32.384
flat angles C4'-P-C4' energy: -30.412
flat angles P-C4'-P energy: -27.313
tors. eta vs tors. theta energy: -47.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -471.116422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.116422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.116422 (E_RNA)
where:
Base-Base interactions energy: -326.591
where: short stacking energy: -129.103
Base-Backbone interact. energy: -1.019
local terms energy: -143.505927
where:
bonds (distance) C4'-P energy: -30.424
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -29.924
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -40.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -403.219266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.219266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.219266 (E_RNA)
where:
Base-Base interactions energy: -251.439
where: short stacking energy: -113.484
Base-Backbone interact. energy: -0.610
local terms energy: -151.169810
where:
bonds (distance) C4'-P energy: -28.153
bonds (distance) P-C4' energy: -28.597
flat angles C4'-P-C4' energy: -39.222
flat angles P-C4'-P energy: -23.790
tors. eta vs tors. theta energy: -31.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -175.711671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.711671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.711671 (E_RNA)
where:
Base-Base interactions energy: -65.400
where: short stacking energy: -65.503
Base-Backbone interact. energy: -0.490
local terms energy: -109.821975
where:
bonds (distance) C4'-P energy: -38.462
bonds (distance) P-C4' energy: -34.565
flat angles C4'-P-C4' energy: -20.688
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -1.218
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: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -164.708536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.708536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.708536 (E_RNA)
where:
Base-Base interactions energy: -54.180
where: short stacking energy: -47.704
Base-Backbone interact. energy: 0.224
local terms energy: -110.753041
where:
bonds (distance) C4'-P energy: -30.959
bonds (distance) P-C4' energy: -34.738
flat angles C4'-P-C4' energy: -30.238
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -0.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -153.897465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.897465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.897465 (E_RNA)
where:
Base-Base interactions energy: -47.258
where: short stacking energy: -40.714
Base-Backbone interact. energy: -0.448
local terms energy: -106.191450
where:
bonds (distance) C4'-P energy: -27.686
bonds (distance) P-C4' energy: -34.607
flat angles C4'-P-C4' energy: -31.941
flat angles P-C4'-P energy: -21.548
tors. eta vs tors. theta energy: 9.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -143.885903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.885903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.885903 (E_RNA)
where:
Base-Base interactions energy: -38.911
where: short stacking energy: -38.550
Base-Backbone interact. energy: -0.472
local terms energy: -104.503125
where:
bonds (distance) C4'-P energy: -32.452
bonds (distance) P-C4' energy: -33.343
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -19.704
tors. eta vs tors. theta energy: -1.626
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: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -554.512129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.512129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.512129 (E_RNA)
where:
Base-Base interactions energy: -367.594
where: short stacking energy: -176.889
Base-Backbone interact. energy: -0.675
local terms energy: -186.243118
where:
bonds (distance) C4'-P energy: -30.340
bonds (distance) P-C4' energy: -35.852
flat angles C4'-P-C4' energy: -36.741
flat angles P-C4'-P energy: -29.733
tors. eta vs tors. theta energy: -53.577
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: 430
Temperature: 0.950000
Total energy: -534.077108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.077108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.077108 (E_RNA)
where:
Base-Base interactions energy: -350.822
where: short stacking energy: -161.966
Base-Backbone interact. energy: -0.260
local terms energy: -182.995371
where:
bonds (distance) C4'-P energy: -29.577
bonds (distance) P-C4' energy: -33.301
flat angles C4'-P-C4' energy: -38.116
flat angles P-C4'-P energy: -27.197
tors. eta vs tors. theta energy: -54.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -501.021859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.021859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.021859 (E_RNA)
where:
Base-Base interactions energy: -335.378
where: short stacking energy: -154.279
Base-Backbone interact. energy: -2.198
local terms energy: -163.445924
where:
bonds (distance) C4'-P energy: -34.454
bonds (distance) P-C4' energy: -30.185
flat angles C4'-P-C4' energy: -34.359
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -51.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -492.450337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.450337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.450337 (E_RNA)
where:
Base-Base interactions energy: -317.750
where: short stacking energy: -149.595
Base-Backbone interact. energy: -0.303
local terms energy: -174.397822
where:
bonds (distance) C4'-P energy: -27.830
bonds (distance) P-C4' energy: -37.661
flat angles C4'-P-C4' energy: -37.680
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -51.433
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: 8
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -472.828426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.828426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.828426 (E_RNA)
where:
Base-Base interactions energy: -317.385
where: short stacking energy: -152.681
Base-Backbone interact. energy: -0.597
local terms energy: -154.845742
where:
bonds (distance) C4'-P energy: -29.455
bonds (distance) P-C4' energy: -33.875
flat angles C4'-P-C4' energy: -28.682
flat angles P-C4'-P energy: -19.432
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: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -350.766279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.766279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.766279 (E_RNA)
where:
Base-Base interactions energy: -222.553
where: short stacking energy: -81.335
Base-Backbone interact. energy: 3.386
local terms energy: -131.599592
where:
bonds (distance) C4'-P energy: -22.556
bonds (distance) P-C4' energy: -36.433
flat angles C4'-P-C4' energy: -34.467
flat angles P-C4'-P energy: -23.950
tors. eta vs tors. theta energy: -14.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -186.619933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.619933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.619933 (E_RNA)
where:
Base-Base interactions energy: -67.651
where: short stacking energy: -53.908
Base-Backbone interact. energy: 0.607
local terms energy: -119.576172
where:
bonds (distance) C4'-P energy: -30.307
bonds (distance) P-C4' energy: -35.570
flat angles C4'-P-C4' energy: -30.694
flat angles P-C4'-P energy: -21.039
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: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -164.462301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.462301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.462301 (E_RNA)
where:
Base-Base interactions energy: -55.997
where: short stacking energy: -53.951
Base-Backbone interact. energy: -1.302
local terms energy: -107.163953
where:
bonds (distance) C4'-P energy: -27.822
bonds (distance) P-C4' energy: -33.425
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -181.934806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.934806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.934806 (E_RNA)
where:
Base-Base interactions energy: -74.658
where: short stacking energy: -37.793
Base-Backbone interact. energy: 1.409
local terms energy: -108.685192
where:
bonds (distance) C4'-P energy: -31.155
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -26.992
flat angles P-C4'-P energy: -25.594
tors. eta vs tors. theta energy: 6.872
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: 5
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -149.377995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.377995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.377995 (E_RNA)
where:
Base-Base interactions energy: -53.715
where: short stacking energy: -45.906
Base-Backbone interact. energy: 2.347
local terms energy: -98.010302
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -32.689
flat angles C4'-P-C4' energy: -30.597
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: 3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -560.612566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.612566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.612566 (E_RNA)
where:
Base-Base interactions energy: -357.027
where: short stacking energy: -168.250
Base-Backbone interact. energy: -1.423
local terms energy: -202.162672
where:
bonds (distance) C4'-P energy: -38.427
bonds (distance) P-C4' energy: -39.944
flat angles C4'-P-C4' energy: -37.844
flat angles P-C4'-P energy: -25.283
tors. eta vs tors. theta energy: -60.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -540.132836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.132836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.132836 (E_RNA)
where:
Base-Base interactions energy: -348.562
where: short stacking energy: -168.947
Base-Backbone interact. energy: -0.143
local terms energy: -191.428401
where:
bonds (distance) C4'-P energy: -37.451
bonds (distance) P-C4' energy: -32.417
flat angles C4'-P-C4' energy: -38.956
flat angles P-C4'-P energy: -25.367
tors. eta vs tors. theta energy: -57.238
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: 6
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -501.395191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.395191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.395191 (E_RNA)
where:
Base-Base interactions energy: -330.335
where: short stacking energy: -142.153
Base-Backbone interact. energy: -1.187
local terms energy: -169.872493
where:
bonds (distance) C4'-P energy: -29.546
bonds (distance) P-C4' energy: -35.134
flat angles C4'-P-C4' energy: -29.494
flat angles P-C4'-P energy: -27.678
tors. eta vs tors. theta energy: -48.019
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: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -494.700631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.700631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.700631 (E_RNA)
where:
Base-Base interactions energy: -303.863
where: short stacking energy: -153.700
Base-Backbone interact. energy: -0.183
local terms energy: -190.654118
where:
bonds (distance) C4'-P energy: -37.986
bonds (distance) P-C4' energy: -37.602
flat angles C4'-P-C4' energy: -35.653
flat angles P-C4'-P energy: -25.563
tors. eta vs tors. theta energy: -53.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -461.646588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.646588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.646588 (E_RNA)
where:
Base-Base interactions energy: -309.461
where: short stacking energy: -134.353
Base-Backbone interact. energy: -1.495
local terms energy: -150.690138
where:
bonds (distance) C4'-P energy: -26.482
bonds (distance) P-C4' energy: -34.594
flat angles C4'-P-C4' energy: -31.276
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: -38.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -362.571961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.571961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.571961 (E_RNA)
where:
Base-Base interactions energy: -211.259
where: short stacking energy: -110.007
Base-Backbone interact. energy: -0.614
local terms energy: -150.698386
where:
bonds (distance) C4'-P energy: -30.463
bonds (distance) P-C4' energy: -35.021
flat angles C4'-P-C4' energy: -32.297
flat angles P-C4'-P energy: -19.797
tors. eta vs tors. theta energy: -33.121
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: 431
Temperature: 1.200000
Total energy: -218.425367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.425367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.425367 (E_RNA)
where:
Base-Base interactions energy: -108.357
where: short stacking energy: -51.666
Base-Backbone interact. energy: -0.533
local terms energy: -109.535163
where:
bonds (distance) C4'-P energy: -30.455
bonds (distance) P-C4' energy: -34.802
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -5.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -171.084533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.084533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.084533 (E_RNA)
where:
Base-Base interactions energy: -62.939
where: short stacking energy: -59.905
Base-Backbone interact. energy: 2.418
local terms energy: -110.563308
where:
bonds (distance) C4'-P energy: -33.560
bonds (distance) P-C4' energy: -38.374
flat angles C4'-P-C4' energy: -28.764
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: 2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -148.437379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.437379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.437379 (E_RNA)
where:
Base-Base interactions energy: -33.373
where: short stacking energy: -33.318
Base-Backbone interact. energy: -0.374
local terms energy: -114.690025
where:
bonds (distance) C4'-P energy: -32.668
bonds (distance) P-C4' energy: -38.670
flat angles C4'-P-C4' energy: -30.267
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -153.597184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.597184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.597184 (E_RNA)
where:
Base-Base interactions energy: -53.665
where: short stacking energy: -48.001
Base-Backbone interact. energy: 1.780
local terms energy: -101.712352
where:
bonds (distance) C4'-P energy: -30.222
bonds (distance) P-C4' energy: -32.375
flat angles C4'-P-C4' energy: -25.160
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -543.424415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.424415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.424415 (E_RNA)
where:
Base-Base interactions energy: -340.710
where: short stacking energy: -154.340
Base-Backbone interact. energy: -0.127
local terms energy: -202.587436
where:
bonds (distance) C4'-P energy: -35.287
bonds (distance) P-C4' energy: -39.345
flat angles C4'-P-C4' energy: -41.938
flat angles P-C4'-P energy: -35.960
tors. eta vs tors. theta energy: -50.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -536.732667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.732667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.732667 (E_RNA)
where:
Base-Base interactions energy: -350.941
where: short stacking energy: -157.988
Base-Backbone interact. energy: -0.754
local terms energy: -185.037627
where:
bonds (distance) C4'-P energy: -33.228
bonds (distance) P-C4' energy: -34.002
flat angles C4'-P-C4' energy: -38.176
flat angles P-C4'-P energy: -26.501
tors. eta vs tors. theta energy: -53.130
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: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -509.663860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.663860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.663860 (E_RNA)
where:
Base-Base interactions energy: -329.654
where: short stacking energy: -154.948
Base-Backbone interact. energy: -0.387
local terms energy: -179.622528
where:
bonds (distance) C4'-P energy: -28.134
bonds (distance) P-C4' energy: -35.960
flat angles C4'-P-C4' energy: -38.876
flat angles P-C4'-P energy: -26.377
tors. eta vs tors. theta energy: -50.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -484.658562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.658562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.658562 (E_RNA)
where:
Base-Base interactions energy: -312.364
where: short stacking energy: -146.563
Base-Backbone interact. energy: -0.935
local terms energy: -171.359561
where:
bonds (distance) C4'-P energy: -37.219
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -35.246
flat angles P-C4'-P energy: -23.809
tors. eta vs tors. theta energy: -43.354
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: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -459.788951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.788951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.788951 (E_RNA)
where:
Base-Base interactions energy: -313.699
where: short stacking energy: -121.401
Base-Backbone interact. energy: 1.006
local terms energy: -147.095588
where:
bonds (distance) C4'-P energy: -30.322
bonds (distance) P-C4' energy: -31.516
flat angles C4'-P-C4' energy: -37.223
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -37.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -374.851193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.851193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.851193 (E_RNA)
where:
Base-Base interactions energy: -237.198
where: short stacking energy: -107.349
Base-Backbone interact. energy: -0.755
local terms energy: -136.898241
where:
bonds (distance) C4'-P energy: -23.080
bonds (distance) P-C4' energy: -35.003
flat angles C4'-P-C4' energy: -27.701
flat angles P-C4'-P energy: -19.904
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: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -243.389649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.389649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.389649 (E_RNA)
where:
Base-Base interactions energy: -134.460
where: short stacking energy: -56.422
Base-Backbone interact. energy: -0.484
local terms energy: -108.445424
where:
bonds (distance) C4'-P energy: -35.786
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -11.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -176.548446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.548446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.548446 (E_RNA)
where:
Base-Base interactions energy: -73.250
where: short stacking energy: -50.665
Base-Backbone interact. energy: 1.226
local terms energy: -104.524372
where:
bonds (distance) C4'-P energy: -33.842
bonds (distance) P-C4' energy: -33.284
flat angles C4'-P-C4' energy: -31.906
flat angles P-C4'-P energy: -2.559
tors. eta vs tors. theta energy: -2.934
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: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -178.771451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.771451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.771451 (E_RNA)
where:
Base-Base interactions energy: -77.762
where: short stacking energy: -46.944
Base-Backbone interact. energy: -1.477
local terms energy: -99.532599
where:
bonds (distance) C4'-P energy: -31.971
bonds (distance) P-C4' energy: -32.798
flat angles C4'-P-C4' energy: -24.034
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: 5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -140.568083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.568083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.568083 (E_RNA)
where:
Base-Base interactions energy: -37.388
where: short stacking energy: -19.392
Base-Backbone interact. energy: -1.084
local terms energy: -102.095894
where:
bonds (distance) C4'-P energy: -33.530
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -30.040
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: 5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -557.572085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.572085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.572085 (E_RNA)
where:
Base-Base interactions energy: -360.656
where: short stacking energy: -179.166
Base-Backbone interact. energy: -0.787
local terms energy: -196.128779
where:
bonds (distance) C4'-P energy: -32.169
bonds (distance) P-C4' energy: -34.178
flat angles C4'-P-C4' energy: -38.526
flat angles P-C4'-P energy: -31.904
tors. eta vs tors. theta energy: -59.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -538.350547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.350547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.350547 (E_RNA)
where:
Base-Base interactions energy: -351.860
where: short stacking energy: -161.614
Base-Backbone interact. energy: -0.003
local terms energy: -186.487786
where:
bonds (distance) C4'-P energy: -32.675
bonds (distance) P-C4' energy: -35.172
flat angles C4'-P-C4' energy: -37.805
flat angles P-C4'-P energy: -26.742
tors. eta vs tors. theta energy: -54.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -493.295492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.295492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.295492 (E_RNA)
where:
Base-Base interactions energy: -324.421
where: short stacking energy: -145.920
Base-Backbone interact. energy: -0.969
local terms energy: -167.904797
where:
bonds (distance) C4'-P energy: -28.039
bonds (distance) P-C4' energy: -31.376
flat angles C4'-P-C4' energy: -37.430
flat angles P-C4'-P energy: -21.100
tors. eta vs tors. theta energy: -49.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -498.908424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.908424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.908424 (E_RNA)
where:
Base-Base interactions energy: -325.384
where: short stacking energy: -152.831
Base-Backbone interact. energy: -0.188
local terms energy: -173.336817
where:
bonds (distance) C4'-P energy: -30.658
bonds (distance) P-C4' energy: -32.302
flat angles C4'-P-C4' energy: -37.515
flat angles P-C4'-P energy: -25.417
tors. eta vs tors. theta energy: -47.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -451.955558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.955558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.955558 (E_RNA)
where:
Base-Base interactions energy: -312.183
where: short stacking energy: -130.148
Base-Backbone interact. energy: 1.511
local terms energy: -141.283843
where:
bonds (distance) C4'-P energy: -29.176
bonds (distance) P-C4' energy: -28.384
flat angles C4'-P-C4' energy: -28.268
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -38.452
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: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -368.766301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.766301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.766301 (E_RNA)
where:
Base-Base interactions energy: -220.698
where: short stacking energy: -95.564
Base-Backbone interact. energy: -0.365
local terms energy: -147.704211
where:
bonds (distance) C4'-P energy: -33.076
bonds (distance) P-C4' energy: -41.297
flat angles C4'-P-C4' energy: -26.204
flat angles P-C4'-P energy: -17.286
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: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -216.138501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.138501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.138501 (E_RNA)
where:
Base-Base interactions energy: -106.496
where: short stacking energy: -57.472
Base-Backbone interact. energy: 0.948
local terms energy: -110.591069
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -40.608
flat angles C4'-P-C4' energy: -32.374
flat angles P-C4'-P energy: -17.607
tors. eta vs tors. theta energy: 1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -181.918308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.918308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.918308 (E_RNA)
where:
Base-Base interactions energy: -54.441
where: short stacking energy: -50.167
Base-Backbone interact. energy: 0.873
local terms energy: -128.350675
where:
bonds (distance) C4'-P energy: -31.337
bonds (distance) P-C4' energy: -35.300
flat angles C4'-P-C4' energy: -37.227
flat angles P-C4'-P energy: -27.077
tors. eta vs tors. theta energy: 2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -152.840374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.840374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.840374 (E_RNA)
where:
Base-Base interactions energy: -63.412
where: short stacking energy: -47.334
Base-Backbone interact. energy: -0.345
local terms energy: -89.083924
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -25.331
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -158.951451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.951451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.951451 (E_RNA)
where:
Base-Base interactions energy: -48.413
where: short stacking energy: -48.291
Base-Backbone interact. energy: 2.613
local terms energy: -113.151593
where:
bonds (distance) C4'-P energy: -29.179
bonds (distance) P-C4' energy: -28.958
flat angles C4'-P-C4' energy: -28.793
flat angles P-C4'-P energy: -17.832
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -560.145048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.145048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.145048 (E_RNA)
where:
Base-Base interactions energy: -349.652
where: short stacking energy: -163.241
Base-Backbone interact. energy: -0.003
local terms energy: -210.489724
where:
bonds (distance) C4'-P energy: -39.234
bonds (distance) P-C4' energy: -41.947
flat angles C4'-P-C4' energy: -39.736
flat angles P-C4'-P energy: -30.374
tors. eta vs tors. theta energy: -59.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -548.118682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.118682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.118682 (E_RNA)
where:
Base-Base interactions energy: -353.379
where: short stacking energy: -155.570
Base-Backbone interact. energy: -0.239
local terms energy: -194.500266
where:
bonds (distance) C4'-P energy: -31.540
bonds (distance) P-C4' energy: -39.581
flat angles C4'-P-C4' energy: -39.122
flat angles P-C4'-P energy: -27.925
tors. eta vs tors. theta energy: -56.333
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: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -482.995902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.995902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.995902 (E_RNA)
where:
Base-Base interactions energy: -314.543
where: short stacking energy: -130.436
Base-Backbone interact. energy: -1.975
local terms energy: -166.477311
where:
bonds (distance) C4'-P energy: -32.728
bonds (distance) P-C4' energy: -33.001
flat angles C4'-P-C4' energy: -36.387
flat angles P-C4'-P energy: -26.488
tors. eta vs tors. theta energy: -37.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -472.418948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.418948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.418948 (E_RNA)
where:
Base-Base interactions energy: -317.929
where: short stacking energy: -160.776
Base-Backbone interact. energy: -0.157
local terms energy: -154.332950
where:
bonds (distance) C4'-P energy: -34.578
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -33.311
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: -47.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -466.796194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.796194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.796194 (E_RNA)
where:
Base-Base interactions energy: -331.114
where: short stacking energy: -142.253
Base-Backbone interact. energy: -0.245
local terms energy: -135.436830
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -29.481
flat angles C4'-P-C4' energy: -33.158
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -37.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -366.072611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.072611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.072611 (E_RNA)
where:
Base-Base interactions energy: -235.043
where: short stacking energy: -104.453
Base-Backbone interact. energy: -0.112
local terms energy: -130.917945
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -37.314
flat angles C4'-P-C4' energy: -33.111
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -25.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -177.604165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.604165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.604165 (E_RNA)
where:
Base-Base interactions energy: -65.445
where: short stacking energy: -53.962
Base-Backbone interact. energy: 0.713
local terms energy: -112.872484
where:
bonds (distance) C4'-P energy: -38.339
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -18.869
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -168.006937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.006937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.006937 (E_RNA)
where:
Base-Base interactions energy: -69.700
where: short stacking energy: -35.947
Base-Backbone interact. energy: 0.680
local terms energy: -98.986718
where:
bonds (distance) C4'-P energy: -30.697
bonds (distance) P-C4' energy: -35.266
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: 6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -166.869393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.869393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.869393 (E_RNA)
where:
Base-Base interactions energy: -53.220
where: short stacking energy: -52.156
Base-Backbone interact. energy: -0.380
local terms energy: -113.270148
where:
bonds (distance) C4'-P energy: -28.569
bonds (distance) P-C4' energy: -35.443
flat angles C4'-P-C4' energy: -27.921
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -7.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -160.505501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.505501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.505501 (E_RNA)
where:
Base-Base interactions energy: -57.841
where: short stacking energy: -48.432
Base-Backbone interact. energy: 1.705
local terms energy: -104.369842
where:
bonds (distance) C4'-P energy: -26.612
bonds (distance) P-C4' energy: -38.297
flat angles C4'-P-C4' energy: -25.265
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -561.096570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.096570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.096570 (E_RNA)
where:
Base-Base interactions energy: -366.023
where: short stacking energy: -168.314
Base-Backbone interact. energy: -0.156
local terms energy: -194.917707
where:
bonds (distance) C4'-P energy: -34.661
bonds (distance) P-C4' energy: -28.845
flat angles C4'-P-C4' energy: -41.831
flat angles P-C4'-P energy: -28.874
tors. eta vs tors. theta energy: -60.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -561.208092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.208092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.208092 (E_RNA)
where:
Base-Base interactions energy: -349.702
where: short stacking energy: -170.176
Base-Backbone interact. energy: -0.506
local terms energy: -211.000780
where:
bonds (distance) C4'-P energy: -41.164
bonds (distance) P-C4' energy: -42.479
flat angles C4'-P-C4' energy: -39.230
flat angles P-C4'-P energy: -28.666
tors. eta vs tors. theta energy: -59.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -516.673342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.673342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.673342 (E_RNA)
where:
Base-Base interactions energy: -339.648
where: short stacking energy: -151.754
Base-Backbone interact. energy: 2.828
local terms energy: -179.852656
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -38.597
flat angles C4'-P-C4' energy: -40.917
flat angles P-C4'-P energy: -26.110
tors. eta vs tors. theta energy: -51.351
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: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -468.133722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.133722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.133722 (E_RNA)
where:
Base-Base interactions energy: -287.074
where: short stacking energy: -137.041
Base-Backbone interact. energy: -0.012
local terms energy: -181.047933
where:
bonds (distance) C4'-P energy: -34.955
bonds (distance) P-C4' energy: -34.108
flat angles C4'-P-C4' energy: -36.741
flat angles P-C4'-P energy: -27.624
tors. eta vs tors. theta energy: -47.621
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: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -478.480350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.480350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.480350 (E_RNA)
where:
Base-Base interactions energy: -318.156
where: short stacking energy: -125.624
Base-Backbone interact. energy: 0.039
local terms energy: -160.363204
where:
bonds (distance) C4'-P energy: -24.881
bonds (distance) P-C4' energy: -39.216
flat angles C4'-P-C4' energy: -38.552
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -39.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -360.862639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.862639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.862639 (E_RNA)
where:
Base-Base interactions energy: -230.574
where: short stacking energy: -85.373
Base-Backbone interact. energy: -0.298
local terms energy: -129.990808
where:
bonds (distance) C4'-P energy: -33.510
bonds (distance) P-C4' energy: -33.696
flat angles C4'-P-C4' energy: -25.280
flat angles P-C4'-P energy: -18.656
tors. eta vs tors. theta energy: -18.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -191.495911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.495911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.495911 (E_RNA)
where:
Base-Base interactions energy: -75.435
where: short stacking energy: -38.158
Base-Backbone interact. energy: 0.753
local terms energy: -116.814169
where:
bonds (distance) C4'-P energy: -28.998
bonds (distance) P-C4' energy: -34.849
flat angles C4'-P-C4' energy: -30.275
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -0.589
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: 5
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -196.503883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.503883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.503883 (E_RNA)
where:
Base-Base interactions energy: -72.309
where: short stacking energy: -48.763
Base-Backbone interact. energy: 0.054
local terms energy: -124.249245
where:
bonds (distance) C4'-P energy: -39.854
bonds (distance) P-C4' energy: -35.875
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -20.950
tors. eta vs tors. theta energy: -9.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -168.623831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.623831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.623831 (E_RNA)
where:
Base-Base interactions energy: -75.513
where: short stacking energy: -49.561
Base-Backbone interact. energy: -0.723
local terms energy: -92.387990
where:
bonds (distance) C4'-P energy: -28.285
bonds (distance) P-C4' energy: -32.526
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -154.851422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.851422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.851422 (E_RNA)
where:
Base-Base interactions energy: -54.043
where: short stacking energy: -33.221
Base-Backbone interact. energy: -0.957
local terms energy: -99.852128
where:
bonds (distance) C4'-P energy: -29.243
bonds (distance) P-C4' energy: -35.167
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: 4.073
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: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -550.657291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.657291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.657291 (E_RNA)
where:
Base-Base interactions energy: -361.854
where: short stacking energy: -185.717
Base-Backbone interact. energy: -0.080
local terms energy: -188.723517
where:
bonds (distance) C4'-P energy: -27.795
bonds (distance) P-C4' energy: -35.514
flat angles C4'-P-C4' energy: -35.280
flat angles P-C4'-P energy: -28.468
tors. eta vs tors. theta energy: -61.666
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: 436
Temperature: 0.950000
Total energy: -531.035668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.035668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.035668 (E_RNA)
where:
Base-Base interactions energy: -332.746
where: short stacking energy: -156.794
Base-Backbone interact. energy: -0.135
local terms energy: -198.154669
where:
bonds (distance) C4'-P energy: -36.264
bonds (distance) P-C4' energy: -37.818
flat angles C4'-P-C4' energy: -39.308
flat angles P-C4'-P energy: -27.743
tors. eta vs tors. theta energy: -57.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -502.026663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.026663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.026663 (E_RNA)
where:
Base-Base interactions energy: -328.189
where: short stacking energy: -147.799
Base-Backbone interact. energy: -2.059
local terms energy: -171.778024
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -31.574
flat angles C4'-P-C4' energy: -34.488
flat angles P-C4'-P energy: -26.802
tors. eta vs tors. theta energy: -53.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -472.796666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.796666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.796666 (E_RNA)
where:
Base-Base interactions energy: -306.829
where: short stacking energy: -137.533
Base-Backbone interact. energy: -0.215
local terms energy: -165.752812
where:
bonds (distance) C4'-P energy: -27.857
bonds (distance) P-C4' energy: -33.419
flat angles C4'-P-C4' energy: -33.906
flat angles P-C4'-P energy: -23.326
tors. eta vs tors. theta energy: -47.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -452.662960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.662960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.662960 (E_RNA)
where:
Base-Base interactions energy: -298.863
where: short stacking energy: -117.102
Base-Backbone interact. energy: -0.023
local terms energy: -153.777577
where:
bonds (distance) C4'-P energy: -33.847
bonds (distance) P-C4' energy: -34.303
flat angles C4'-P-C4' energy: -29.343
flat angles P-C4'-P energy: -22.719
tors. eta vs tors. theta energy: -33.565
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: 6, replica: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -380.819917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.819917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.819917 (E_RNA)
where:
Base-Base interactions energy: -241.161
where: short stacking energy: -120.821
Base-Backbone interact. energy: -0.520
local terms energy: -139.138341
where:
bonds (distance) C4'-P energy: -26.554
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -29.845
flat angles P-C4'-P energy: -19.685
tors. eta vs tors. theta energy: -36.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -181.837111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.837111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.837111 (E_RNA)
where:
Base-Base interactions energy: -80.665
where: short stacking energy: -50.101
Base-Backbone interact. energy: -0.287
local terms energy: -100.884628
where:
bonds (distance) C4'-P energy: -34.843
bonds (distance) P-C4' energy: -26.746
flat angles C4'-P-C4' energy: -25.077
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: 3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -192.115898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.115898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.115898 (E_RNA)
where:
Base-Base interactions energy: -74.773
where: short stacking energy: -47.576
Base-Backbone interact. energy: -0.497
local terms energy: -116.846066
where:
bonds (distance) C4'-P energy: -25.202
bonds (distance) P-C4' energy: -31.566
flat angles C4'-P-C4' energy: -35.776
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -171.803166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.803166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.803166 (E_RNA)
where:
Base-Base interactions energy: -64.749
where: short stacking energy: -52.298
Base-Backbone interact. energy: 0.815
local terms energy: -107.869529
where:
bonds (distance) C4'-P energy: -27.990
bonds (distance) P-C4' energy: -33.830
flat angles C4'-P-C4' energy: -29.333
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -147.036650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.036650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.036650 (E_RNA)
where:
Base-Base interactions energy: -37.643
where: short stacking energy: -36.167
Base-Backbone interact. energy: 1.305
local terms energy: -110.698519
where:
bonds (distance) C4'-P energy: -32.044
bonds (distance) P-C4' energy: -35.691
flat angles C4'-P-C4' energy: -28.577
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -0.891
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: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -548.926234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.926234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.926234 (E_RNA)
where:
Base-Base interactions energy: -356.909
where: short stacking energy: -155.318
Base-Backbone interact. energy: -0.030
local terms energy: -191.987142
where:
bonds (distance) C4'-P energy: -35.218
bonds (distance) P-C4' energy: -30.198
flat angles C4'-P-C4' energy: -38.143
flat angles P-C4'-P energy: -30.063
tors. eta vs tors. theta energy: -58.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -518.860816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.860816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.860816 (E_RNA)
where:
Base-Base interactions energy: -337.166
where: short stacking energy: -148.271
Base-Backbone interact. energy: -0.929
local terms energy: -180.765983
where:
bonds (distance) C4'-P energy: -36.793
bonds (distance) P-C4' energy: -32.858
flat angles C4'-P-C4' energy: -33.659
flat angles P-C4'-P energy: -26.354
tors. eta vs tors. theta energy: -51.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -528.630292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.630292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.630292 (E_RNA)
where:
Base-Base interactions energy: -337.978
where: short stacking energy: -171.561
Base-Backbone interact. energy: -0.003
local terms energy: -190.649574
where:
bonds (distance) C4'-P energy: -32.696
bonds (distance) P-C4' energy: -31.338
flat angles C4'-P-C4' energy: -41.058
flat angles P-C4'-P energy: -25.455
tors. eta vs tors. theta energy: -60.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -475.588794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.588794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.588794 (E_RNA)
where:
Base-Base interactions energy: -304.492
where: short stacking energy: -146.227
Base-Backbone interact. energy: -0.045
local terms energy: -171.052403
where:
bonds (distance) C4'-P energy: -38.891
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -34.073
flat angles P-C4'-P energy: -24.866
tors. eta vs tors. theta energy: -49.230
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: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -436.260186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.260186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.260186 (E_RNA)
where:
Base-Base interactions energy: -299.593
where: short stacking energy: -112.553
Base-Backbone interact. energy: -1.056
local terms energy: -135.610707
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -32.946
flat angles C4'-P-C4' energy: -31.949
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: -29.087
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: 6, replica: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -358.482339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.482339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.482339 (E_RNA)
where:
Base-Base interactions energy: -236.545
where: short stacking energy: -97.580
Base-Backbone interact. energy: -0.378
local terms energy: -121.559338
where:
bonds (distance) C4'-P energy: -27.374
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -32.592
flat angles P-C4'-P energy: -18.340
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -173.458986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.458986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.458986 (E_RNA)
where:
Base-Base interactions energy: -68.689
where: short stacking energy: -53.708
Base-Backbone interact. energy: 1.444
local terms energy: -106.214579
where:
bonds (distance) C4'-P energy: -30.035
bonds (distance) P-C4' energy: -24.749
flat angles C4'-P-C4' energy: -26.351
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -3.548
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: 8, replica: 2
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -170.049516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.049516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.049516 (E_RNA)
where:
Base-Base interactions energy: -54.230
where: short stacking energy: -53.333
Base-Backbone interact. energy: -0.999
local terms energy: -114.820422
where:
bonds (distance) C4'-P energy: -31.055
bonds (distance) P-C4' energy: -36.989
flat angles C4'-P-C4' energy: -25.034
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -171.228890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.228890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.228890 (E_RNA)
where:
Base-Base interactions energy: -71.027
where: short stacking energy: -66.599
Base-Backbone interact. energy: 0.980
local terms energy: -101.182297
where:
bonds (distance) C4'-P energy: -26.990
bonds (distance) P-C4' energy: -31.206
flat angles C4'-P-C4' energy: -26.943
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -153.982605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.982605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.982605 (E_RNA)
where:
Base-Base interactions energy: -53.793
where: short stacking energy: -39.916
Base-Backbone interact. energy: 0.212
local terms energy: -100.401417
where:
bonds (distance) C4'-P energy: -28.924
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -29.692
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -551.542703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.542703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.542703 (E_RNA)
where:
Base-Base interactions energy: -375.161
where: short stacking energy: -168.645
Base-Backbone interact. energy: -0.162
local terms energy: -176.219316
where:
bonds (distance) C4'-P energy: -31.056
bonds (distance) P-C4' energy: -35.834
flat angles C4'-P-C4' energy: -30.702
flat angles P-C4'-P energy: -25.639
tors. eta vs tors. theta energy: -52.989
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: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -510.412746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.412746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.412746 (E_RNA)
where:
Base-Base interactions energy: -343.219
where: short stacking energy: -150.459
Base-Backbone interact. energy: -1.358
local terms energy: -165.836281
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -28.634
flat angles C4'-P-C4' energy: -32.113
flat angles P-C4'-P energy: -22.861
tors. eta vs tors. theta energy: -47.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -532.099788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.099788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.099788 (E_RNA)
where:
Base-Base interactions energy: -350.111
where: short stacking energy: -171.768
Base-Backbone interact. energy: 0.353
local terms energy: -182.341745
where:
bonds (distance) C4'-P energy: -30.923
bonds (distance) P-C4' energy: -33.883
flat angles C4'-P-C4' energy: -36.589
flat angles P-C4'-P energy: -25.261
tors. eta vs tors. theta energy: -55.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -476.397867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.397867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.397867 (E_RNA)
where:
Base-Base interactions energy: -301.593
where: short stacking energy: -151.361
Base-Backbone interact. energy: -0.092
local terms energy: -174.712471
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -35.571
flat angles C4'-P-C4' energy: -38.613
flat angles P-C4'-P energy: -24.257
tors. eta vs tors. theta energy: -46.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -381.504271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.504271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.504271 (E_RNA)
where:
Base-Base interactions energy: -230.740
where: short stacking energy: -121.960
Base-Backbone interact. energy: -0.564
local terms energy: -150.199829
where:
bonds (distance) C4'-P energy: -35.454
bonds (distance) P-C4' energy: -38.259
flat angles C4'-P-C4' energy: -30.627
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -31.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -415.038409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.038409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.038409 (E_RNA)
where:
Base-Base interactions energy: -268.977
where: short stacking energy: -120.464
Base-Backbone interact. energy: -0.641
local terms energy: -145.420394
where:
bonds (distance) C4'-P energy: -29.316
bonds (distance) P-C4' energy: -26.357
flat angles C4'-P-C4' energy: -33.878
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: -34.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -185.339017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.339017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.339017 (E_RNA)
where:
Base-Base interactions energy: -75.041
where: short stacking energy: -60.859
Base-Backbone interact. energy: 2.837
local terms energy: -113.134880
where:
bonds (distance) C4'-P energy: -25.730
bonds (distance) P-C4' energy: -35.313
flat angles C4'-P-C4' energy: -33.092
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -172.091461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.091461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.091461 (E_RNA)
where:
Base-Base interactions energy: -61.243
where: short stacking energy: -55.225
Base-Backbone interact. energy: -0.582
local terms energy: -110.266815
where:
bonds (distance) C4'-P energy: -40.483
bonds (distance) P-C4' energy: -31.241
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -172.221061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.221061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.221061 (E_RNA)
where:
Base-Base interactions energy: -75.279
where: short stacking energy: -60.016
Base-Backbone interact. energy: -0.550
local terms energy: -96.391968
where:
bonds (distance) C4'-P energy: -34.954
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -21.728
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: 1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -145.070799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.070799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.070799 (E_RNA)
where:
Base-Base interactions energy: -40.876
where: short stacking energy: -40.088
Base-Backbone interact. energy: -0.395
local terms energy: -103.799791
where:
bonds (distance) C4'-P energy: -37.697
bonds (distance) P-C4' energy: -25.848
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: 4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -542.469254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.469254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.469254 (E_RNA)
where:
Base-Base interactions energy: -359.064
where: short stacking energy: -167.681
Base-Backbone interact. energy: -0.265
local terms energy: -183.139617
where:
bonds (distance) C4'-P energy: -36.373
bonds (distance) P-C4' energy: -28.336
flat angles C4'-P-C4' energy: -40.244
flat angles P-C4'-P energy: -25.738
tors. eta vs tors. theta energy: -52.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -546.932253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.932253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.932253 (E_RNA)
where:
Base-Base interactions energy: -343.782
where: short stacking energy: -164.709
Base-Backbone interact. energy: -0.024
local terms energy: -203.125949
where:
bonds (distance) C4'-P energy: -39.000
bonds (distance) P-C4' energy: -34.545
flat angles C4'-P-C4' energy: -41.488
flat angles P-C4'-P energy: -27.908
tors. eta vs tors. theta energy: -60.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -489.349115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.349115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.349115 (E_RNA)
where:
Base-Base interactions energy: -315.134
where: short stacking energy: -134.596
Base-Backbone interact. energy: -0.657
local terms energy: -173.558824
where:
bonds (distance) C4'-P energy: -33.400
bonds (distance) P-C4' energy: -28.359
flat angles C4'-P-C4' energy: -39.577
flat angles P-C4'-P energy: -27.306
tors. eta vs tors. theta energy: -44.917
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: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -483.437720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.437720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.437720 (E_RNA)
where:
Base-Base interactions energy: -311.411
where: short stacking energy: -145.934
Base-Backbone interact. energy: -0.587
local terms energy: -171.439802
where:
bonds (distance) C4'-P energy: -30.996
bonds (distance) P-C4' energy: -30.798
flat angles C4'-P-C4' energy: -35.509
flat angles P-C4'-P energy: -22.237
tors. eta vs tors. theta energy: -51.899
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: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -358.100708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.100708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.100708 (E_RNA)
where:
Base-Base interactions energy: -221.108
where: short stacking energy: -90.357
Base-Backbone interact. energy: -1.265
local terms energy: -135.727047
where:
bonds (distance) C4'-P energy: -28.184
bonds (distance) P-C4' energy: -34.230
flat angles C4'-P-C4' energy: -26.082
flat angles P-C4'-P energy: -23.166
tors. eta vs tors. theta energy: -24.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -438.520766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.520766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.520766 (E_RNA)
where:
Base-Base interactions energy: -265.744
where: short stacking energy: -115.086
Base-Backbone interact. energy: -1.025
local terms energy: -171.751841
where:
bonds (distance) C4'-P energy: -32.028
bonds (distance) P-C4' energy: -38.187
flat angles C4'-P-C4' energy: -35.117
flat angles P-C4'-P energy: -29.810
tors. eta vs tors. theta energy: -36.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -186.831001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.831001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.831001 (E_RNA)
where:
Base-Base interactions energy: -68.254
where: short stacking energy: -68.454
Base-Backbone interact. energy: -0.434
local terms energy: -118.142941
where:
bonds (distance) C4'-P energy: -32.029
bonds (distance) P-C4' energy: -28.796
flat angles C4'-P-C4' energy: -29.240
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -175.432965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.432965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.432965 (E_RNA)
where:
Base-Base interactions energy: -62.074
where: short stacking energy: -39.559
Base-Backbone interact. energy: -0.552
local terms energy: -112.806916
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -30.813
flat angles C4'-P-C4' energy: -29.273
flat angles P-C4'-P energy: -25.188
tors. eta vs tors. theta energy: -3.769
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: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -184.887940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.887940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.887940 (E_RNA)
where:
Base-Base interactions energy: -66.925
where: short stacking energy: -54.384
Base-Backbone interact. energy: -1.937
local terms energy: -116.026210
where:
bonds (distance) C4'-P energy: -25.658
bonds (distance) P-C4' energy: -37.130
flat angles C4'-P-C4' energy: -31.804
flat angles P-C4'-P energy: -17.498
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -174.476597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.476597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.476597 (E_RNA)
where:
Base-Base interactions energy: -75.850
where: short stacking energy: -35.815
Base-Backbone interact. energy: 1.957
local terms energy: -100.583782
where:
bonds (distance) C4'-P energy: -29.467
bonds (distance) P-C4' energy: -23.974
flat angles C4'-P-C4' energy: -31.960
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: 2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -553.958138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.958138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.958138 (E_RNA)
where:
Base-Base interactions energy: -355.106
where: short stacking energy: -167.841
Base-Backbone interact. energy: -0.028
local terms energy: -198.823889
where:
bonds (distance) C4'-P energy: -32.753
bonds (distance) P-C4' energy: -36.163
flat angles C4'-P-C4' energy: -43.458
flat angles P-C4'-P energy: -28.850
tors. eta vs tors. theta energy: -57.601
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: 9
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -520.585926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.585926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.585926 (E_RNA)
where:
Base-Base interactions energy: -329.785
where: short stacking energy: -158.193
Base-Backbone interact. energy: -0.118
local terms energy: -190.682846
where:
bonds (distance) C4'-P energy: -35.468
bonds (distance) P-C4' energy: -37.830
flat angles C4'-P-C4' energy: -39.794
flat angles P-C4'-P energy: -23.275
tors. eta vs tors. theta energy: -54.315
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: 3, replica: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -491.530891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.530891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.530891 (E_RNA)
where:
Base-Base interactions energy: -310.802
where: short stacking energy: -158.206
Base-Backbone interact. energy: -0.010
local terms energy: -180.718995
where:
bonds (distance) C4'-P energy: -31.165
bonds (distance) P-C4' energy: -36.320
flat angles C4'-P-C4' energy: -38.169
flat angles P-C4'-P energy: -22.778
tors. eta vs tors. theta energy: -52.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -495.890274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.890274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.890274 (E_RNA)
where:
Base-Base interactions energy: -316.685
where: short stacking energy: -140.710
Base-Backbone interact. energy: -1.628
local terms energy: -177.576419
where:
bonds (distance) C4'-P energy: -31.732
bonds (distance) P-C4' energy: -34.924
flat angles C4'-P-C4' energy: -37.475
flat angles P-C4'-P energy: -25.327
tors. eta vs tors. theta energy: -48.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -453.164350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.164350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.164350 (E_RNA)
where:
Base-Base interactions energy: -306.652
where: short stacking energy: -116.664
Base-Backbone interact. energy: -0.733
local terms energy: -145.779831
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -26.223
flat angles C4'-P-C4' energy: -33.422
flat angles P-C4'-P energy: -24.006
tors. eta vs tors. theta energy: -38.978
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: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -353.341226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.341226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.341226 (E_RNA)
where:
Base-Base interactions energy: -215.948
where: short stacking energy: -96.136
Base-Backbone interact. energy: 0.432
local terms energy: -137.825344
where:
bonds (distance) C4'-P energy: -31.966
bonds (distance) P-C4' energy: -34.750
flat angles C4'-P-C4' energy: -31.510
flat angles P-C4'-P energy: -18.858
tors. eta vs tors. theta energy: -20.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -176.292502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.292502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.292502 (E_RNA)
where:
Base-Base interactions energy: -63.654
where: short stacking energy: -47.943
Base-Backbone interact. energy: 0.287
local terms energy: -112.926057
where:
bonds (distance) C4'-P energy: -30.895
bonds (distance) P-C4' energy: -32.129
flat angles C4'-P-C4' energy: -30.319
flat angles P-C4'-P energy: -19.361
tors. eta vs tors. theta energy: -0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -173.112706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.112706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.112706 (E_RNA)
where:
Base-Base interactions energy: -62.677
where: short stacking energy: -45.805
Base-Backbone interact. energy: 0.602
local terms energy: -111.037689
where:
bonds (distance) C4'-P energy: -28.941
bonds (distance) P-C4' energy: -36.446
flat angles C4'-P-C4' energy: -31.726
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: 2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -155.237587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.237587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.237587 (E_RNA)
where:
Base-Base interactions energy: -55.698
where: short stacking energy: -34.357
Base-Backbone interact. energy: 0.157
local terms energy: -99.697390
where:
bonds (distance) C4'-P energy: -34.831
bonds (distance) P-C4' energy: -40.301
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -19.210
tors. eta vs tors. theta energy: 8.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -146.343918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.343918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.343918 (E_RNA)
where:
Base-Base interactions energy: -53.115
where: short stacking energy: -39.868
Base-Backbone interact. energy: 2.166
local terms energy: -95.394933
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -30.956
flat angles C4'-P-C4' energy: -27.887
flat angles P-C4'-P energy: -20.196
tors. eta vs tors. theta energy: 3.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -580.468659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.468659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.468659 (E_RNA)
where:
Base-Base interactions energy: -376.483
where: short stacking energy: -188.937
Base-Backbone interact. energy: -0.001
local terms energy: -203.984110
where:
bonds (distance) C4'-P energy: -39.828
bonds (distance) P-C4' energy: -33.012
flat angles C4'-P-C4' energy: -38.347
flat angles P-C4'-P energy: -32.433
tors. eta vs tors. theta energy: -60.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -512.540664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.540664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.540664 (E_RNA)
where:
Base-Base interactions energy: -319.798
where: short stacking energy: -168.183
Base-Backbone interact. energy: -0.356
local terms energy: -192.385893
where:
bonds (distance) C4'-P energy: -31.546
bonds (distance) P-C4' energy: -39.044
flat angles C4'-P-C4' energy: -40.208
flat angles P-C4'-P energy: -25.597
tors. eta vs tors. theta energy: -55.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -508.462829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.462829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.462829 (E_RNA)
where:
Base-Base interactions energy: -317.726
where: short stacking energy: -144.884
Base-Backbone interact. energy: 0.338
local terms energy: -191.074683
where:
bonds (distance) C4'-P energy: -34.368
bonds (distance) P-C4' energy: -35.840
flat angles C4'-P-C4' energy: -39.344
flat angles P-C4'-P energy: -29.469
tors. eta vs tors. theta energy: -52.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -495.410170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.410170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.410170 (E_RNA)
where:
Base-Base interactions energy: -329.351
where: short stacking energy: -140.818
Base-Backbone interact. energy: -0.172
local terms energy: -165.886829
where:
bonds (distance) C4'-P energy: -36.666
bonds (distance) P-C4' energy: -23.168
flat angles C4'-P-C4' energy: -40.440
flat angles P-C4'-P energy: -26.026
tors. eta vs tors. theta energy: -39.587
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: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -473.183766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.183766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.183766 (E_RNA)
where:
Base-Base interactions energy: -320.492
where: short stacking energy: -121.696
Base-Backbone interact. energy: -0.295
local terms energy: -152.396101
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -28.214
flat angles C4'-P-C4' energy: -35.567
flat angles P-C4'-P energy: -23.604
tors. eta vs tors. theta energy: -37.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -344.651050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.651050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.651050 (E_RNA)
where:
Base-Base interactions energy: -198.028
where: short stacking energy: -99.454
Base-Backbone interact. energy: -0.133
local terms energy: -146.490167
where:
bonds (distance) C4'-P energy: -33.228
bonds (distance) P-C4' energy: -32.229
flat angles C4'-P-C4' energy: -31.779
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -26.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -199.406928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.406928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.406928 (E_RNA)
where:
Base-Base interactions energy: -93.434
where: short stacking energy: -64.582
Base-Backbone interact. energy: -0.307
local terms energy: -105.665721
where:
bonds (distance) C4'-P energy: -34.587
bonds (distance) P-C4' energy: -32.895
flat angles C4'-P-C4' energy: -30.821
flat angles P-C4'-P energy: -9.664
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: 8, replica: 5
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -183.486259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.486259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.486259 (E_RNA)
where:
Base-Base interactions energy: -75.096
where: short stacking energy: -52.896
Base-Backbone interact. energy: -0.709
local terms energy: -107.681268
where:
bonds (distance) C4'-P energy: -25.425
bonds (distance) P-C4' energy: -30.977
flat angles C4'-P-C4' energy: -30.736
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -6.739
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: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -160.655967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.655967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.655967 (E_RNA)
where:
Base-Base interactions energy: -61.593
where: short stacking energy: -40.679
Base-Backbone interact. energy: 0.430
local terms energy: -99.493472
where:
bonds (distance) C4'-P energy: -26.451
bonds (distance) P-C4' energy: -37.869
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: 3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -160.150385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.150385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.150385 (E_RNA)
where:
Base-Base interactions energy: -49.582
where: short stacking energy: -39.777
Base-Backbone interact. energy: -0.200
local terms energy: -110.368373
where:
bonds (distance) C4'-P energy: -30.113
bonds (distance) P-C4' energy: -35.496
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -23.810
tors. eta vs tors. theta energy: 5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -558.232851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.232851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.232851 (E_RNA)
where:
Base-Base interactions energy: -359.072
where: short stacking energy: -171.209
Base-Backbone interact. energy: -0.154
local terms energy: -199.007355
where:
bonds (distance) C4'-P energy: -33.216
bonds (distance) P-C4' energy: -38.187
flat angles C4'-P-C4' energy: -37.171
flat angles P-C4'-P energy: -30.545
tors. eta vs tors. theta energy: -59.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -510.059357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.059357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.059357 (E_RNA)
where:
Base-Base interactions energy: -319.670
where: short stacking energy: -163.431
Base-Backbone interact. energy: -0.056
local terms energy: -190.333015
where:
bonds (distance) C4'-P energy: -33.157
bonds (distance) P-C4' energy: -37.162
flat angles C4'-P-C4' energy: -41.855
flat angles P-C4'-P energy: -24.952
tors. eta vs tors. theta energy: -53.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -512.795204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.795204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.795204 (E_RNA)
where:
Base-Base interactions energy: -335.886
where: short stacking energy: -157.399
Base-Backbone interact. energy: -1.307
local terms energy: -175.602340
where:
bonds (distance) C4'-P energy: -37.285
bonds (distance) P-C4' energy: -28.499
flat angles C4'-P-C4' energy: -30.305
flat angles P-C4'-P energy: -24.478
tors. eta vs tors. theta energy: -55.036
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: 9
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -473.451946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.451946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.451946 (E_RNA)
where:
Base-Base interactions energy: -323.070
where: short stacking energy: -143.782
Base-Backbone interact. energy: -1.006
local terms energy: -149.375870
where:
bonds (distance) C4'-P energy: -24.070
bonds (distance) P-C4' energy: -29.757
flat angles C4'-P-C4' energy: -34.231
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -46.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -459.515587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.515587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.515587 (E_RNA)
where:
Base-Base interactions energy: -314.832
where: short stacking energy: -120.033
Base-Backbone interact. energy: 2.038
local terms energy: -146.721972
where:
bonds (distance) C4'-P energy: -29.986
bonds (distance) P-C4' energy: -30.168
flat angles C4'-P-C4' energy: -25.504
flat angles P-C4'-P energy: -20.314
tors. eta vs tors. theta energy: -40.749
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: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -357.449620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.449620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.449620 (E_RNA)
where:
Base-Base interactions energy: -209.450
where: short stacking energy: -103.253
Base-Backbone interact. energy: 0.562
local terms energy: -148.560976
where:
bonds (distance) C4'-P energy: -30.153
bonds (distance) P-C4' energy: -32.846
flat angles C4'-P-C4' energy: -33.037
flat angles P-C4'-P energy: -25.344
tors. eta vs tors. theta energy: -27.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -232.511037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.511037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.511037 (E_RNA)
where:
Base-Base interactions energy: -132.947
where: short stacking energy: -45.258
Base-Backbone interact. energy: -0.651
local terms energy: -98.913069
where:
bonds (distance) C4'-P energy: -26.354
bonds (distance) P-C4' energy: -30.246
flat angles C4'-P-C4' energy: -26.359
flat angles P-C4'-P energy: -17.510
tors. eta vs tors. theta energy: 1.556
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: 2
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -186.495438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.495438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.495438 (E_RNA)
where:
Base-Base interactions energy: -92.775
where: short stacking energy: -41.486
Base-Backbone interact. energy: 2.478
local terms energy: -96.199106
where:
bonds (distance) C4'-P energy: -26.818
bonds (distance) P-C4' energy: -28.952
flat angles C4'-P-C4' energy: -30.178
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: 3.507
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: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -164.244363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.244363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.244363 (E_RNA)
where:
Base-Base interactions energy: -55.080
where: short stacking energy: -45.324
Base-Backbone interact. energy: 0.674
local terms energy: -109.839288
where:
bonds (distance) C4'-P energy: -34.503
bonds (distance) P-C4' energy: -25.852
flat angles C4'-P-C4' energy: -27.333
flat angles P-C4'-P energy: -19.562
tors. eta vs tors. theta energy: -2.589
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: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -138.797397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.797397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.797397 (E_RNA)
where:
Base-Base interactions energy: -46.053
where: short stacking energy: -24.016
Base-Backbone interact. energy: -0.514
local terms energy: -92.230714
where:
bonds (distance) C4'-P energy: -29.653
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -31.265
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: 6.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -561.823358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.823358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.823358 (E_RNA)
where:
Base-Base interactions energy: -370.562
where: short stacking energy: -180.013
Base-Backbone interact. energy: -0.165
local terms energy: -191.096456
where:
bonds (distance) C4'-P energy: -30.495
bonds (distance) P-C4' energy: -34.142
flat angles C4'-P-C4' energy: -38.942
flat angles P-C4'-P energy: -28.491
tors. eta vs tors. theta energy: -59.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -515.795320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.795320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.795320 (E_RNA)
where:
Base-Base interactions energy: -336.462
where: short stacking energy: -146.546
Base-Backbone interact. energy: 3.165
local terms energy: -182.498736
where:
bonds (distance) C4'-P energy: -33.371
bonds (distance) P-C4' energy: -38.915
flat angles C4'-P-C4' energy: -39.368
flat angles P-C4'-P energy: -21.016
tors. eta vs tors. theta energy: -49.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -494.874122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.874122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.874122 (E_RNA)
where:
Base-Base interactions energy: -312.003
where: short stacking energy: -151.349
Base-Backbone interact. energy: -0.143
local terms energy: -182.727564
where:
bonds (distance) C4'-P energy: -31.834
bonds (distance) P-C4' energy: -34.056
flat angles C4'-P-C4' energy: -38.024
flat angles P-C4'-P energy: -27.306
tors. eta vs tors. theta energy: -51.508
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: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -468.633804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.633804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.633804 (E_RNA)
where:
Base-Base interactions energy: -310.984
where: short stacking energy: -118.080
Base-Backbone interact. energy: 0.042
local terms energy: -157.691647
where:
bonds (distance) C4'-P energy: -35.685
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -28.293
flat angles P-C4'-P energy: -27.128
tors. eta vs tors. theta energy: -36.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -452.140540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.140540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.140540 (E_RNA)
where:
Base-Base interactions energy: -297.660
where: short stacking energy: -111.242
Base-Backbone interact. energy: -0.989
local terms energy: -153.492253
where:
bonds (distance) C4'-P energy: -32.589
bonds (distance) P-C4' energy: -33.857
flat angles C4'-P-C4' energy: -31.733
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -39.234
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: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -385.224337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.224337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.224337 (E_RNA)
where:
Base-Base interactions energy: -239.156
where: short stacking energy: -105.375
Base-Backbone interact. energy: -0.030
local terms energy: -146.038799
where:
bonds (distance) C4'-P energy: -24.547
bonds (distance) P-C4' energy: -29.402
flat angles C4'-P-C4' energy: -31.425
flat angles P-C4'-P energy: -25.567
tors. eta vs tors. theta energy: -35.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -169.620307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.620307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.620307 (E_RNA)
where:
Base-Base interactions energy: -49.557
where: short stacking energy: -48.842
Base-Backbone interact. energy: -1.006
local terms energy: -119.057060
where:
bonds (distance) C4'-P energy: -36.857
bonds (distance) P-C4' energy: -35.881
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -23.872
tors. eta vs tors. theta energy: -2.572
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: 2
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -177.390482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.390482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.390482 (E_RNA)
where:
Base-Base interactions energy: -67.639
where: short stacking energy: -44.990
Base-Backbone interact. energy: 0.224
local terms energy: -109.975557
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -36.166
flat angles C4'-P-C4' energy: -35.818
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: 2.146
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: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -149.494757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.494757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.494757 (E_RNA)
where:
Base-Base interactions energy: -57.265
where: short stacking energy: -44.419
Base-Backbone interact. energy: -1.927
local terms energy: -90.303363
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -35.927
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: 7.096
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: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -145.732739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.732739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.732739 (E_RNA)
where:
Base-Base interactions energy: -43.682
where: short stacking energy: -38.808
Base-Backbone interact. energy: -0.380
local terms energy: -101.670888
where:
bonds (distance) C4'-P energy: -33.873
bonds (distance) P-C4' energy: -36.391
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: 3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -545.784948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.784948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.784948 (E_RNA)
where:
Base-Base interactions energy: -362.253
where: short stacking energy: -158.559
Base-Backbone interact. energy: -1.962
local terms energy: -181.569268
where:
bonds (distance) C4'-P energy: -31.627
bonds (distance) P-C4' energy: -37.375
flat angles C4'-P-C4' energy: -34.774
flat angles P-C4'-P energy: -24.078
tors. eta vs tors. theta energy: -53.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -545.585494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.585494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.585494 (E_RNA)
where:
Base-Base interactions energy: -357.676
where: short stacking energy: -161.115
Base-Backbone interact. energy: -0.017
local terms energy: -187.891983
where:
bonds (distance) C4'-P energy: -31.260
bonds (distance) P-C4' energy: -28.540
flat angles C4'-P-C4' energy: -41.475
flat angles P-C4'-P energy: -28.002
tors. eta vs tors. theta energy: -58.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -494.767801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.767801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.767801 (E_RNA)
where:
Base-Base interactions energy: -312.364
where: short stacking energy: -143.442
Base-Backbone interact. energy: 0.587
local terms energy: -182.990223
where:
bonds (distance) C4'-P energy: -32.089
bonds (distance) P-C4' energy: -35.159
flat angles C4'-P-C4' energy: -39.577
flat angles P-C4'-P energy: -24.016
tors. eta vs tors. theta energy: -52.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -473.270457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.270457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.270457 (E_RNA)
where:
Base-Base interactions energy: -303.159
where: short stacking energy: -137.642
Base-Backbone interact. energy: -0.158
local terms energy: -169.953061
where:
bonds (distance) C4'-P energy: -30.377
bonds (distance) P-C4' energy: -37.529
flat angles C4'-P-C4' energy: -38.771
flat angles P-C4'-P energy: -20.955
tors. eta vs tors. theta energy: -42.321
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: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -413.363590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.363590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.363590 (E_RNA)
where:
Base-Base interactions energy: -255.591
where: short stacking energy: -99.148
Base-Backbone interact. energy: -1.982
local terms energy: -155.790150
where:
bonds (distance) C4'-P energy: -33.271
bonds (distance) P-C4' energy: -30.326
flat angles C4'-P-C4' energy: -35.895
flat angles P-C4'-P energy: -24.932
tors. eta vs tors. theta energy: -31.366
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: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -363.916712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.916712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.916712 (E_RNA)
where:
Base-Base interactions energy: -222.866
where: short stacking energy: -109.461
Base-Backbone interact. energy: -0.586
local terms energy: -140.464375
where:
bonds (distance) C4'-P energy: -34.636
bonds (distance) P-C4' energy: -33.464
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -24.341
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: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -199.179317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.179317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.179317 (E_RNA)
where:
Base-Base interactions energy: -79.957
where: short stacking energy: -64.870
Base-Backbone interact. energy: -1.817
local terms energy: -117.405247
where:
bonds (distance) C4'-P energy: -38.662
bonds (distance) P-C4' energy: -30.211
flat angles C4'-P-C4' energy: -29.299
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -165.259789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.259789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.259789 (E_RNA)
where:
Base-Base interactions energy: -46.355
where: short stacking energy: -43.807
Base-Backbone interact. energy: -0.748
local terms energy: -118.156631
where:
bonds (distance) C4'-P energy: -36.040
bonds (distance) P-C4' energy: -37.275
flat angles C4'-P-C4' energy: -28.866
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: 6.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -168.585257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.585257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.585257 (E_RNA)
where:
Base-Base interactions energy: -60.157
where: short stacking energy: -46.237
Base-Backbone interact. energy: -1.707
local terms energy: -106.721407
where:
bonds (distance) C4'-P energy: -25.784
bonds (distance) P-C4' energy: -29.763
flat angles C4'-P-C4' energy: -29.923
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -5.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -155.590748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.590748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.590748 (E_RNA)
where:
Base-Base interactions energy: -55.759
where: short stacking energy: -49.659
Base-Backbone interact. energy: 0.387
local terms energy: -100.219031
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -26.648
flat angles C4'-P-C4' energy: -25.461
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -3.384
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: 1, replica: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -549.008973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.008973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.008973 (E_RNA)
where:
Base-Base interactions energy: -363.580
where: short stacking energy: -174.032
Base-Backbone interact. energy: 1.383
local terms energy: -186.811739
where:
bonds (distance) C4'-P energy: -31.413
bonds (distance) P-C4' energy: -35.308
flat angles C4'-P-C4' energy: -40.100
flat angles P-C4'-P energy: -25.335
tors. eta vs tors. theta energy: -54.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -534.479565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.479565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.479565 (E_RNA)
where:
Base-Base interactions energy: -337.682
where: short stacking energy: -159.709
Base-Backbone interact. energy: -0.291
local terms energy: -196.506219
where:
bonds (distance) C4'-P energy: -37.321
bonds (distance) P-C4' energy: -37.393
flat angles C4'-P-C4' energy: -40.475
flat angles P-C4'-P energy: -29.548
tors. eta vs tors. theta energy: -51.770
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: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -502.525563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.525563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.525563 (E_RNA)
where:
Base-Base interactions energy: -315.024
where: short stacking energy: -151.910
Base-Backbone interact. energy: -0.328
local terms energy: -187.173332
where:
bonds (distance) C4'-P energy: -36.653
bonds (distance) P-C4' energy: -37.370
flat angles C4'-P-C4' energy: -32.851
flat angles P-C4'-P energy: -29.004
tors. eta vs tors. theta energy: -51.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -476.625368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.625368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.625368 (E_RNA)
where:
Base-Base interactions energy: -288.231
where: short stacking energy: -136.303
Base-Backbone interact. energy: -0.149
local terms energy: -188.245226
where:
bonds (distance) C4'-P energy: -39.709
bonds (distance) P-C4' energy: -33.517
flat angles C4'-P-C4' energy: -39.916
flat angles P-C4'-P energy: -27.125
tors. eta vs tors. theta energy: -47.977
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: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -400.229721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.229721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.229721 (E_RNA)
where:
Base-Base interactions energy: -246.476
where: short stacking energy: -107.718
Base-Backbone interact. energy: -0.283
local terms energy: -153.470950
where:
bonds (distance) C4'-P energy: -32.009
bonds (distance) P-C4' energy: -30.825
flat angles C4'-P-C4' energy: -39.450
flat angles P-C4'-P energy: -26.411
tors. eta vs tors. theta energy: -24.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -375.803385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.803385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.803385 (E_RNA)
where:
Base-Base interactions energy: -217.899
where: short stacking energy: -107.107
Base-Backbone interact. energy: -2.512
local terms energy: -155.392035
where:
bonds (distance) C4'-P energy: -29.080
bonds (distance) P-C4' energy: -33.492
flat angles C4'-P-C4' energy: -35.962
flat angles P-C4'-P energy: -22.771
tors. eta vs tors. theta energy: -34.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -174.872576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.872576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.872576 (E_RNA)
where:
Base-Base interactions energy: -62.568
where: short stacking energy: -55.037
Base-Backbone interact. energy: 0.120
local terms energy: -112.424941
where:
bonds (distance) C4'-P energy: -25.593
bonds (distance) P-C4' energy: -32.891
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -11.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -173.126607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.126607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.126607 (E_RNA)
where:
Base-Base interactions energy: -65.640
where: short stacking energy: -33.754
Base-Backbone interact. energy: -2.517
local terms energy: -104.969791
where:
bonds (distance) C4'-P energy: -29.681
bonds (distance) P-C4' energy: -35.459
flat angles C4'-P-C4' energy: -27.700
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: 7.019
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: 2
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -154.206369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.206369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.206369 (E_RNA)
where:
Base-Base interactions energy: -43.878
where: short stacking energy: -38.544
Base-Backbone interact. energy: 0.768
local terms energy: -111.096287
where:
bonds (distance) C4'-P energy: -31.879
bonds (distance) P-C4' energy: -32.748
flat angles C4'-P-C4' energy: -27.733
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -141.672635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.672635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.672635 (E_RNA)
where:
Base-Base interactions energy: -49.498
where: short stacking energy: -38.847
Base-Backbone interact. energy: -1.987
local terms energy: -90.187531
where:
bonds (distance) C4'-P energy: -28.749
bonds (distance) P-C4' energy: -33.365
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -1.862
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: 1, replica: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -557.829431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.829431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.829431 (E_RNA)
where:
Base-Base interactions energy: -370.572
where: short stacking energy: -168.625
Base-Backbone interact. energy: 0.711
local terms energy: -187.969259
where:
bonds (distance) C4'-P energy: -33.269
bonds (distance) P-C4' energy: -31.456
flat angles C4'-P-C4' energy: -41.460
flat angles P-C4'-P energy: -27.224
tors. eta vs tors. theta energy: -54.561
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: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -534.899737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.899737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.899737 (E_RNA)
where:
Base-Base interactions energy: -348.313
where: short stacking energy: -163.985
Base-Backbone interact. energy: -0.805
local terms energy: -185.781286
where:
bonds (distance) C4'-P energy: -36.906
bonds (distance) P-C4' energy: -38.188
flat angles C4'-P-C4' energy: -35.562
flat angles P-C4'-P energy: -22.547
tors. eta vs tors. theta energy: -52.579
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: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -509.062290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.062290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.062290 (E_RNA)
where:
Base-Base interactions energy: -325.830
where: short stacking energy: -159.217
Base-Backbone interact. energy: -0.072
local terms energy: -183.160833
where:
bonds (distance) C4'-P energy: -27.313
bonds (distance) P-C4' energy: -36.925
flat angles C4'-P-C4' energy: -39.016
flat angles P-C4'-P energy: -26.000
tors. eta vs tors. theta energy: -53.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -507.480025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.480025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.480025 (E_RNA)
where:
Base-Base interactions energy: -320.422
where: short stacking energy: -152.383
Base-Backbone interact. energy: 0.074
local terms energy: -187.132373
where:
bonds (distance) C4'-P energy: -31.326
bonds (distance) P-C4' energy: -32.469
flat angles C4'-P-C4' energy: -37.395
flat angles P-C4'-P energy: -30.479
tors. eta vs tors. theta energy: -55.464
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: 3
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -385.955592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.955592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.955592 (E_RNA)
where:
Base-Base interactions energy: -218.990
where: short stacking energy: -101.787
Base-Backbone interact. energy: 0.613
local terms energy: -167.578697
where:
bonds (distance) C4'-P energy: -31.181
bonds (distance) P-C4' energy: -38.210
flat angles C4'-P-C4' energy: -38.247
flat angles P-C4'-P energy: -27.425
tors. eta vs tors. theta energy: -32.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -383.860239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.860239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.860239 (E_RNA)
where:
Base-Base interactions energy: -241.743
where: short stacking energy: -99.105
Base-Backbone interact. energy: -0.682
local terms energy: -141.434361
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -30.483
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -25.692
tors. eta vs tors. theta energy: -22.528
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: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -179.987984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.987984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.987984 (E_RNA)
where:
Base-Base interactions energy: -56.871
where: short stacking energy: -53.419
Base-Backbone interact. energy: -0.543
local terms energy: -122.573108
where:
bonds (distance) C4'-P energy: -27.034
bonds (distance) P-C4' energy: -35.470
flat angles C4'-P-C4' energy: -30.513
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -155.433368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.433368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.433368 (E_RNA)
where:
Base-Base interactions energy: -51.196
where: short stacking energy: -43.105
Base-Backbone interact. energy: 0.039
local terms energy: -104.276528
where:
bonds (distance) C4'-P energy: -36.468
bonds (distance) P-C4' energy: -41.304
flat angles C4'-P-C4' energy: -29.377
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: 9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -154.425153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.425153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.425153 (E_RNA)
where:
Base-Base interactions energy: -42.838
where: short stacking energy: -36.454
Base-Backbone interact. energy: 0.909
local terms energy: -112.496249
where:
bonds (distance) C4'-P energy: -35.134
bonds (distance) P-C4' energy: -35.170
flat angles C4'-P-C4' energy: -26.678
flat angles P-C4'-P energy: -19.950
tors. eta vs tors. theta energy: 4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -149.612702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.612702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.612702 (E_RNA)
where:
Base-Base interactions energy: -43.081
where: short stacking energy: -41.682
Base-Backbone interact. energy: -0.695
local terms energy: -105.836762
where:
bonds (distance) C4'-P energy: -36.762
bonds (distance) P-C4' energy: -27.615
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -8.235
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: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -552.201910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.201910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.201910 (E_RNA)
where:
Base-Base interactions energy: -359.041
where: short stacking energy: -155.608
Base-Backbone interact. energy: -0.141
local terms energy: -193.020264
where:
bonds (distance) C4'-P energy: -38.673
bonds (distance) P-C4' energy: -33.083
flat angles C4'-P-C4' energy: -40.572
flat angles P-C4'-P energy: -26.032
tors. eta vs tors. theta energy: -54.660
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: 6
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -551.300870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.300870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.300870 (E_RNA)
where:
Base-Base interactions energy: -358.874
where: short stacking energy: -170.195
Base-Backbone interact. energy: -0.005
local terms energy: -192.422209
where:
bonds (distance) C4'-P energy: -36.394
bonds (distance) P-C4' energy: -36.594
flat angles C4'-P-C4' energy: -39.371
flat angles P-C4'-P energy: -26.398
tors. eta vs tors. theta energy: -53.665
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: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -475.520246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.520246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.520246 (E_RNA)
where:
Base-Base interactions energy: -301.559
where: short stacking energy: -139.752
Base-Backbone interact. energy: -0.144
local terms energy: -173.817823
where:
bonds (distance) C4'-P energy: -31.778
bonds (distance) P-C4' energy: -34.164
flat angles C4'-P-C4' energy: -39.091
flat angles P-C4'-P energy: -22.370
tors. eta vs tors. theta energy: -46.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -494.125549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.125549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.125549 (E_RNA)
where:
Base-Base interactions energy: -308.888
where: short stacking energy: -154.965
Base-Backbone interact. energy: 0.274
local terms energy: -185.510981
where:
bonds (distance) C4'-P energy: -34.987
bonds (distance) P-C4' energy: -39.596
flat angles C4'-P-C4' energy: -38.755
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -53.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -393.444129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.444129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.444129 (E_RNA)
where:
Base-Base interactions energy: -234.377
where: short stacking energy: -121.147
Base-Backbone interact. energy: -0.104
local terms energy: -158.962800
where:
bonds (distance) C4'-P energy: -36.688
bonds (distance) P-C4' energy: -42.584
flat angles C4'-P-C4' energy: -24.662
flat angles P-C4'-P energy: -22.245
tors. eta vs tors. theta energy: -32.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -359.275587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.275587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.275587 (E_RNA)
where:
Base-Base interactions energy: -220.092
where: short stacking energy: -87.708
Base-Backbone interact. energy: -0.387
local terms energy: -138.796339
where:
bonds (distance) C4'-P energy: -31.923
bonds (distance) P-C4' energy: -31.161
flat angles C4'-P-C4' energy: -38.410
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -23.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -184.259771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.259771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.259771 (E_RNA)
where:
Base-Base interactions energy: -86.082
where: short stacking energy: -52.334
Base-Backbone interact. energy: -0.698
local terms energy: -97.479769
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -27.166
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: 4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -176.284697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.284697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.284697 (E_RNA)
where:
Base-Base interactions energy: -66.340
where: short stacking energy: -54.750
Base-Backbone interact. energy: -0.371
local terms energy: -109.573818
where:
bonds (distance) C4'-P energy: -26.851
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -31.113
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -165.187413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.187413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.187413 (E_RNA)
where:
Base-Base interactions energy: -52.259
where: short stacking energy: -45.541
Base-Backbone interact. energy: -1.500
local terms energy: -111.428459
where:
bonds (distance) C4'-P energy: -26.725
bonds (distance) P-C4' energy: -31.504
flat angles C4'-P-C4' energy: -26.061
flat angles P-C4'-P energy: -24.822
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -158.601869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.601869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.601869 (E_RNA)
where:
Base-Base interactions energy: -51.055
where: short stacking energy: -37.063
Base-Backbone interact. energy: -0.645
local terms energy: -106.902572
where:
bonds (distance) C4'-P energy: -33.700
bonds (distance) P-C4' energy: -36.139
flat angles C4'-P-C4' energy: -27.113
flat angles P-C4'-P energy: -20.930
tors. eta vs tors. theta energy: 10.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -548.468853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.468853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.468853 (E_RNA)
where:
Base-Base interactions energy: -349.385
where: short stacking energy: -172.655
Base-Backbone interact. energy: -0.002
local terms energy: -199.081960
where:
bonds (distance) C4'-P energy: -37.689
bonds (distance) P-C4' energy: -35.478
flat angles C4'-P-C4' energy: -40.566
flat angles P-C4'-P energy: -27.508
tors. eta vs tors. theta energy: -57.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -525.591244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.591244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.591244 (E_RNA)
where:
Base-Base interactions energy: -354.033
where: short stacking energy: -159.749
Base-Backbone interact. energy: -1.216
local terms energy: -170.342275
where:
bonds (distance) C4'-P energy: -31.082
bonds (distance) P-C4' energy: -28.732
flat angles C4'-P-C4' energy: -35.341
flat angles P-C4'-P energy: -27.803
tors. eta vs tors. theta energy: -47.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -485.434424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.434424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.434424 (E_RNA)
where:
Base-Base interactions energy: -323.717
where: short stacking energy: -143.972
Base-Backbone interact. energy: -0.194
local terms energy: -161.523516
where:
bonds (distance) C4'-P energy: -36.582
bonds (distance) P-C4' energy: -27.131
flat angles C4'-P-C4' energy: -29.445
flat angles P-C4'-P energy: -23.221
tors. eta vs tors. theta energy: -45.144
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: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -499.903229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.903229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.903229 (E_RNA)
where:
Base-Base interactions energy: -327.569
where: short stacking energy: -146.149
Base-Backbone interact. energy: 0.086
local terms energy: -172.420926
where:
bonds (distance) C4'-P energy: -35.271
bonds (distance) P-C4' energy: -28.431
flat angles C4'-P-C4' energy: -30.377
flat angles P-C4'-P energy: -28.228
tors. eta vs tors. theta energy: -50.113
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: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -407.292916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.292916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.292916 (E_RNA)
where:
Base-Base interactions energy: -247.134
where: short stacking energy: -131.710
Base-Backbone interact. energy: -0.389
local terms energy: -159.770251
where:
bonds (distance) C4'-P energy: -28.944
bonds (distance) P-C4' energy: -35.366
flat angles C4'-P-C4' energy: -35.040
flat angles P-C4'-P energy: -21.115
tors. eta vs tors. theta energy: -39.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -373.083595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.083595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.083595 (E_RNA)
where:
Base-Base interactions energy: -238.436
where: short stacking energy: -111.788
Base-Backbone interact. energy: -0.662
local terms energy: -133.985116
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -29.782
flat angles C4'-P-C4' energy: -29.573
flat angles P-C4'-P energy: -23.787
tors. eta vs tors. theta energy: -28.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -176.537343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.537343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.537343 (E_RNA)
where:
Base-Base interactions energy: -52.341
where: short stacking energy: -49.268
Base-Backbone interact. energy: -0.722
local terms energy: -123.474756
where:
bonds (distance) C4'-P energy: -33.374
bonds (distance) P-C4' energy: -34.245
flat angles C4'-P-C4' energy: -29.152
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -193.659541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.659541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.659541 (E_RNA)
where:
Base-Base interactions energy: -85.425
where: short stacking energy: -54.428
Base-Backbone interact. energy: -0.019
local terms energy: -108.215927
where:
bonds (distance) C4'-P energy: -26.053
bonds (distance) P-C4' energy: -31.785
flat angles C4'-P-C4' energy: -27.861
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -6.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -154.960012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.960012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.960012 (E_RNA)
where:
Base-Base interactions energy: -53.903
where: short stacking energy: -40.597
Base-Backbone interact. energy: 1.256
local terms energy: -102.313307
where:
bonds (distance) C4'-P energy: -34.817
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -27.357
flat angles P-C4'-P energy: -22.978
tors. eta vs tors. theta energy: 7.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -154.062777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.062777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.062777 (E_RNA)
where:
Base-Base interactions energy: -52.389
where: short stacking energy: -40.933
Base-Backbone interact. energy: -0.154
local terms energy: -101.519232
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -36.092
flat angles C4'-P-C4' energy: -27.517
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -6.691
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: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -556.764185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.764185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.764185 (E_RNA)
where:
Base-Base interactions energy: -372.186
where: short stacking energy: -175.112
Base-Backbone interact. energy: -0.267
local terms energy: -184.311631
where:
bonds (distance) C4'-P energy: -31.082
bonds (distance) P-C4' energy: -28.097
flat angles C4'-P-C4' energy: -34.178
flat angles P-C4'-P energy: -29.527
tors. eta vs tors. theta energy: -61.426
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: 6
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -531.573729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.573729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.573729 (E_RNA)
where:
Base-Base interactions energy: -334.282
where: short stacking energy: -150.215
Base-Backbone interact. energy: -1.571
local terms energy: -195.721380
where:
bonds (distance) C4'-P energy: -31.958
bonds (distance) P-C4' energy: -41.860
flat angles C4'-P-C4' energy: -40.651
flat angles P-C4'-P energy: -24.760
tors. eta vs tors. theta energy: -56.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -486.320738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.320738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.320738 (E_RNA)
where:
Base-Base interactions energy: -318.849
where: short stacking energy: -149.582
Base-Backbone interact. energy: -0.073
local terms energy: -167.398043
where:
bonds (distance) C4'-P energy: -29.212
bonds (distance) P-C4' energy: -26.403
flat angles C4'-P-C4' energy: -36.643
flat angles P-C4'-P energy: -27.143
tors. eta vs tors. theta energy: -47.997
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: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -490.442220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.442220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.442220 (E_RNA)
where:
Base-Base interactions energy: -303.358
where: short stacking energy: -140.232
Base-Backbone interact. energy: -0.121
local terms energy: -186.962984
where:
bonds (distance) C4'-P energy: -32.360
bonds (distance) P-C4' energy: -34.839
flat angles C4'-P-C4' energy: -41.610
flat angles P-C4'-P energy: -29.938
tors. eta vs tors. theta energy: -48.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -418.077901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.077901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.077901 (E_RNA)
where:
Base-Base interactions energy: -269.912
where: short stacking energy: -121.419
Base-Backbone interact. energy: -0.575
local terms energy: -147.591172
where:
bonds (distance) C4'-P energy: -33.131
bonds (distance) P-C4' energy: -30.085
flat angles C4'-P-C4' energy: -32.642
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -32.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -344.673201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.673201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.673201 (E_RNA)
where:
Base-Base interactions energy: -195.608
where: short stacking energy: -83.618
Base-Backbone interact. energy: -0.347
local terms energy: -148.717924
where:
bonds (distance) C4'-P energy: -30.430
bonds (distance) P-C4' energy: -41.037
flat angles C4'-P-C4' energy: -32.499
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -24.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -175.885824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.885824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.885824 (E_RNA)
where:
Base-Base interactions energy: -62.745
where: short stacking energy: -43.979
Base-Backbone interact. energy: -0.887
local terms energy: -112.253476
where:
bonds (distance) C4'-P energy: -33.979
bonds (distance) P-C4' energy: -31.022
flat angles C4'-P-C4' energy: -32.215
flat angles P-C4'-P energy: -22.838
tors. eta vs tors. theta energy: 7.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -173.916032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.916032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.916032 (E_RNA)
where:
Base-Base interactions energy: -62.947
where: short stacking energy: -34.806
Base-Backbone interact. energy: -0.358
local terms energy: -110.611440
where:
bonds (distance) C4'-P energy: -35.692
bonds (distance) P-C4' energy: -36.665
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -156.333619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.333619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.333619 (E_RNA)
where:
Base-Base interactions energy: -51.145
where: short stacking energy: -43.813
Base-Backbone interact. energy: -0.355
local terms energy: -104.833405
where:
bonds (distance) C4'-P energy: -37.587
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -154.813775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.813775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.813775 (E_RNA)
where:
Base-Base interactions energy: -60.610
where: short stacking energy: -40.515
Base-Backbone interact. energy: 0.117
local terms energy: -94.321179
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -24.076
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -24.052
tors. eta vs tors. theta energy: -2.165
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: 6
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -525.468421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.468421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.468421 (E_RNA)
where:
Base-Base interactions energy: -345.403
where: short stacking energy: -155.975
Base-Backbone interact. energy: -2.128
local terms energy: -177.937806
where:
bonds (distance) C4'-P energy: -36.972
bonds (distance) P-C4' energy: -28.646
flat angles C4'-P-C4' energy: -34.042
flat angles P-C4'-P energy: -27.916
tors. eta vs tors. theta energy: -50.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -544.183911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.183911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.183911 (E_RNA)
where:
Base-Base interactions energy: -346.226
where: short stacking energy: -163.472
Base-Backbone interact. energy: -0.016
local terms energy: -197.942693
where:
bonds (distance) C4'-P energy: -36.061
bonds (distance) P-C4' energy: -37.739
flat angles C4'-P-C4' energy: -39.596
flat angles P-C4'-P energy: -26.351
tors. eta vs tors. theta energy: -58.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -511.220857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.220857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.220857 (E_RNA)
where:
Base-Base interactions energy: -334.609
where: short stacking energy: -151.908
Base-Backbone interact. energy: 1.318
local terms energy: -177.929747
where:
bonds (distance) C4'-P energy: -34.708
bonds (distance) P-C4' energy: -31.128
flat angles C4'-P-C4' energy: -31.132
flat angles P-C4'-P energy: -29.484
tors. eta vs tors. theta energy: -51.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -484.450177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.450177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.450177 (E_RNA)
where:
Base-Base interactions energy: -305.903
where: short stacking energy: -140.638
Base-Backbone interact. energy: -0.236
local terms energy: -178.311105
where:
bonds (distance) C4'-P energy: -34.672
bonds (distance) P-C4' energy: -33.412
flat angles C4'-P-C4' energy: -37.231
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -44.732
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: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -385.089909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.089909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.089909 (E_RNA)
where:
Base-Base interactions energy: -232.031
where: short stacking energy: -117.257
Base-Backbone interact. energy: -0.058
local terms energy: -153.000709
where:
bonds (distance) C4'-P energy: -26.037
bonds (distance) P-C4' energy: -36.323
flat angles C4'-P-C4' energy: -34.964
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -37.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -373.387701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.387701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.387701 (E_RNA)
where:
Base-Base interactions energy: -225.578
where: short stacking energy: -105.296
Base-Backbone interact. energy: -2.562
local terms energy: -145.247438
where:
bonds (distance) C4'-P energy: -24.030
bonds (distance) P-C4' energy: -37.170
flat angles C4'-P-C4' energy: -34.996
flat angles P-C4'-P energy: -20.395
tors. eta vs tors. theta energy: -28.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -195.945893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.945893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.945893 (E_RNA)
where:
Base-Base interactions energy: -83.532
where: short stacking energy: -53.170
Base-Backbone interact. energy: 0.175
local terms energy: -112.588570
where:
bonds (distance) C4'-P energy: -28.846
bonds (distance) P-C4' energy: -32.042
flat angles C4'-P-C4' energy: -24.271
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -170.805004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.805004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.805004 (E_RNA)
where:
Base-Base interactions energy: -55.805
where: short stacking energy: -45.656
Base-Backbone interact. energy: -1.280
local terms energy: -113.719152
where:
bonds (distance) C4'-P energy: -20.088
bonds (distance) P-C4' energy: -30.009
flat angles C4'-P-C4' energy: -32.256
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -9.561
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: 9, replica: 2
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -180.698144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.698144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.698144 (E_RNA)
where:
Base-Base interactions energy: -69.115
where: short stacking energy: -48.764
Base-Backbone interact. energy: -0.874
local terms energy: -110.709167
where:
bonds (distance) C4'-P energy: -32.619
bonds (distance) P-C4' energy: -36.975
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -9.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -148.920252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.920252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.920252 (E_RNA)
where:
Base-Base interactions energy: -56.016
where: short stacking energy: -49.989
Base-Backbone interact. energy: -0.707
local terms energy: -92.197657
where:
bonds (distance) C4'-P energy: -27.197
bonds (distance) P-C4' energy: -35.241
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: 3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -529.589984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.589984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.589984 (E_RNA)
where:
Base-Base interactions energy: -349.991
where: short stacking energy: -156.749
Base-Backbone interact. energy: 0.674
local terms energy: -180.272764
where:
bonds (distance) C4'-P energy: -30.514
bonds (distance) P-C4' energy: -34.900
flat angles C4'-P-C4' energy: -34.318
flat angles P-C4'-P energy: -31.347
tors. eta vs tors. theta energy: -49.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -533.806101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.806101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.806101 (E_RNA)
where:
Base-Base interactions energy: -349.385
where: short stacking energy: -170.365
Base-Backbone interact. energy: -0.036
local terms energy: -184.385102
where:
bonds (distance) C4'-P energy: -29.904
bonds (distance) P-C4' energy: -30.453
flat angles C4'-P-C4' energy: -41.372
flat angles P-C4'-P energy: -25.274
tors. eta vs tors. theta energy: -57.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -479.959190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.959190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.959190 (E_RNA)
where:
Base-Base interactions energy: -299.456
where: short stacking energy: -137.756
Base-Backbone interact. energy: -0.890
local terms energy: -179.612897
where:
bonds (distance) C4'-P energy: -35.822
bonds (distance) P-C4' energy: -35.101
flat angles C4'-P-C4' energy: -34.417
flat angles P-C4'-P energy: -23.820
tors. eta vs tors. theta energy: -50.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -498.314850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.314850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.314850 (E_RNA)
where:
Base-Base interactions energy: -310.545
where: short stacking energy: -146.317
Base-Backbone interact. energy: -0.325
local terms energy: -187.445196
where:
bonds (distance) C4'-P energy: -36.331
bonds (distance) P-C4' energy: -39.092
flat angles C4'-P-C4' energy: -36.122
flat angles P-C4'-P energy: -27.234
tors. eta vs tors. theta energy: -48.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -400.749727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.749727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.749727 (E_RNA)
where:
Base-Base interactions energy: -247.783
where: short stacking energy: -112.502
Base-Backbone interact. energy: 3.320
local terms energy: -156.286974
where:
bonds (distance) C4'-P energy: -31.309
bonds (distance) P-C4' energy: -38.711
flat angles C4'-P-C4' energy: -35.142
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: -27.620
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: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -401.285938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.285938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.285938 (E_RNA)
where:
Base-Base interactions energy: -257.369
where: short stacking energy: -126.422
Base-Backbone interact. energy: -0.505
local terms energy: -143.411299
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -36.730
flat angles C4'-P-C4' energy: -32.267
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -37.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -183.030055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.030055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.030055 (E_RNA)
where:
Base-Base interactions energy: -83.102
where: short stacking energy: -63.939
Base-Backbone interact. energy: -1.114
local terms energy: -98.813962
where:
bonds (distance) C4'-P energy: -39.170
bonds (distance) P-C4' energy: -26.060
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -0.085
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: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -183.300234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.300234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.300234 (E_RNA)
where:
Base-Base interactions energy: -87.441
where: short stacking energy: -44.462
Base-Backbone interact. energy: -0.744
local terms energy: -95.115312
where:
bonds (distance) C4'-P energy: -28.568
bonds (distance) P-C4' energy: -34.486
flat angles C4'-P-C4' energy: -26.067
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: 3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -150.149846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.149846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.149846 (E_RNA)
where:
Base-Base interactions energy: -49.389
where: short stacking energy: -33.362
Base-Backbone interact. energy: -0.916
local terms energy: -99.844351
where:
bonds (distance) C4'-P energy: -25.328
bonds (distance) P-C4' energy: -33.089
flat angles C4'-P-C4' energy: -30.681
flat angles P-C4'-P energy: -22.304
tors. eta vs tors. theta energy: 11.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -147.757502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.757502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.757502 (E_RNA)
where:
Base-Base interactions energy: -57.031
where: short stacking energy: -35.123
Base-Backbone interact. energy: -0.331
local terms energy: -90.395807
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -32.393
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: 1.335
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: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -558.112533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.112533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.112533 (E_RNA)
where:
Base-Base interactions energy: -359.869
where: short stacking energy: -173.720
Base-Backbone interact. energy: -0.098
local terms energy: -198.145150
where:
bonds (distance) C4'-P energy: -37.551
bonds (distance) P-C4' energy: -36.265
flat angles C4'-P-C4' energy: -35.141
flat angles P-C4'-P energy: -27.139
tors. eta vs tors. theta energy: -62.049
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: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -533.614220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.614220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.614220 (E_RNA)
where:
Base-Base interactions energy: -345.295
where: short stacking energy: -157.137
Base-Backbone interact. energy: -1.123
local terms energy: -187.196341
where:
bonds (distance) C4'-P energy: -31.746
bonds (distance) P-C4' energy: -37.034
flat angles C4'-P-C4' energy: -39.875
flat angles P-C4'-P energy: -26.356
tors. eta vs tors. theta energy: -52.184
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: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -484.875215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.875215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.875215 (E_RNA)
where:
Base-Base interactions energy: -303.476
where: short stacking energy: -143.792
Base-Backbone interact. energy: -0.546
local terms energy: -180.854092
where:
bonds (distance) C4'-P energy: -35.998
bonds (distance) P-C4' energy: -34.307
flat angles C4'-P-C4' energy: -35.785
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -48.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -462.157980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.157980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.157980 (E_RNA)
where:
Base-Base interactions energy: -299.913
where: short stacking energy: -135.871
Base-Backbone interact. energy: -0.149
local terms energy: -162.096408
where:
bonds (distance) C4'-P energy: -27.835
bonds (distance) P-C4' energy: -34.898
flat angles C4'-P-C4' energy: -36.125
flat angles P-C4'-P energy: -23.280
tors. eta vs tors. theta energy: -39.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -379.951513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.951513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.951513 (E_RNA)
where:
Base-Base interactions energy: -233.200
where: short stacking energy: -104.130
Base-Backbone interact. energy: -1.146
local terms energy: -145.606252
where:
bonds (distance) C4'-P energy: -29.348
bonds (distance) P-C4' energy: -28.920
flat angles C4'-P-C4' energy: -36.704
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -31.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -387.772720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.772720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.772720 (E_RNA)
where:
Base-Base interactions energy: -226.858
where: short stacking energy: -119.062
Base-Backbone interact. energy: -0.191
local terms energy: -160.724053
where:
bonds (distance) C4'-P energy: -26.317
bonds (distance) P-C4' energy: -37.399
flat angles C4'-P-C4' energy: -28.626
flat angles P-C4'-P energy: -25.677
tors. eta vs tors. theta energy: -42.704
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: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -178.977468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.977468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.977468 (E_RNA)
where:
Base-Base interactions energy: -57.112
where: short stacking energy: -43.350
Base-Backbone interact. energy: -0.251
local terms energy: -121.613950
where:
bonds (distance) C4'-P energy: -29.110
bonds (distance) P-C4' energy: -37.163
flat angles C4'-P-C4' energy: -30.666
flat angles P-C4'-P energy: -18.037
tors. eta vs tors. theta energy: -6.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -167.248188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.248188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.248188 (E_RNA)
where:
Base-Base interactions energy: -54.669
where: short stacking energy: -33.662
Base-Backbone interact. energy: -0.130
local terms energy: -112.449214
where:
bonds (distance) C4'-P energy: -28.875
bonds (distance) P-C4' energy: -32.430
flat angles C4'-P-C4' energy: -27.001
flat angles P-C4'-P energy: -18.747
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -167.002971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.002971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.002971 (E_RNA)
where:
Base-Base interactions energy: -71.314
where: short stacking energy: -52.354
Base-Backbone interact. energy: 1.890
local terms energy: -97.578922
where:
bonds (distance) C4'-P energy: -33.483
bonds (distance) P-C4' energy: -33.537
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -149.725041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.725041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.725041 (E_RNA)
where:
Base-Base interactions energy: -57.209
where: short stacking energy: -48.951
Base-Backbone interact. energy: -1.008
local terms energy: -91.507263
where:
bonds (distance) C4'-P energy: -26.058
bonds (distance) P-C4' energy: -28.363
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: 1.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -557.652017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.652017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.652017 (E_RNA)
where:
Base-Base interactions energy: -356.280
where: short stacking energy: -175.250
Base-Backbone interact. energy: -0.082
local terms energy: -201.289939
where:
bonds (distance) C4'-P energy: -37.494
bonds (distance) P-C4' energy: -38.651
flat angles C4'-P-C4' energy: -42.611
flat angles P-C4'-P energy: -23.026
tors. eta vs tors. theta energy: -59.508
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: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -541.834764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.834764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.834764 (E_RNA)
where:
Base-Base interactions energy: -366.831
where: short stacking energy: -166.902
Base-Backbone interact. energy: -1.963
local terms energy: -173.040015
where:
bonds (distance) C4'-P energy: -35.227
bonds (distance) P-C4' energy: -33.029
flat angles C4'-P-C4' energy: -34.015
flat angles P-C4'-P energy: -18.412
tors. eta vs tors. theta energy: -52.356
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: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -502.315809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.315809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.315809 (E_RNA)
where:
Base-Base interactions energy: -326.741
where: short stacking energy: -152.568
Base-Backbone interact. energy: -0.090
local terms energy: -175.485250
where:
bonds (distance) C4'-P energy: -26.639
bonds (distance) P-C4' energy: -32.814
flat angles C4'-P-C4' energy: -38.233
flat angles P-C4'-P energy: -25.632
tors. eta vs tors. theta energy: -52.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -497.132412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.132412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.132412 (E_RNA)
where:
Base-Base interactions energy: -326.535
where: short stacking energy: -142.139
Base-Backbone interact. energy: -0.011
local terms energy: -170.586376
where:
bonds (distance) C4'-P energy: -36.181
bonds (distance) P-C4' energy: -34.031
flat angles C4'-P-C4' energy: -26.915
flat angles P-C4'-P energy: -19.094
tors. eta vs tors. theta energy: -54.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -374.522533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.522533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.522533 (E_RNA)
where:
Base-Base interactions energy: -224.903
where: short stacking energy: -128.064
Base-Backbone interact. energy: -0.135
local terms energy: -149.484647
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -29.756
flat angles C4'-P-C4' energy: -34.594
flat angles P-C4'-P energy: -26.208
tors. eta vs tors. theta energy: -36.352
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: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -364.532467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.532467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.532467 (E_RNA)
where:
Base-Base interactions energy: -231.142
where: short stacking energy: -113.168
Base-Backbone interact. energy: -0.153
local terms energy: -133.237826
where:
bonds (distance) C4'-P energy: -34.729
bonds (distance) P-C4' energy: -26.735
flat angles C4'-P-C4' energy: -27.116
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -28.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -191.321933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.321933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.321933 (E_RNA)
where:
Base-Base interactions energy: -69.998
where: short stacking energy: -62.918
Base-Backbone interact. energy: 0.319
local terms energy: -121.642361
where:
bonds (distance) C4'-P energy: -31.197
bonds (distance) P-C4' energy: -32.979
flat angles C4'-P-C4' energy: -33.750
flat angles P-C4'-P energy: -20.622
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -179.269021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.269021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.269021 (E_RNA)
where:
Base-Base interactions energy: -75.056
where: short stacking energy: -59.397
Base-Backbone interact. energy: -0.828
local terms energy: -103.384894
where:
bonds (distance) C4'-P energy: -31.092
bonds (distance) P-C4' energy: -26.169
flat angles C4'-P-C4' energy: -29.692
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -5.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -158.677314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.677314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.677314 (E_RNA)
where:
Base-Base interactions energy: -53.219
where: short stacking energy: -38.693
Base-Backbone interact. energy: 0.736
local terms energy: -106.194045
where:
bonds (distance) C4'-P energy: -30.347
bonds (distance) P-C4' energy: -34.065
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -19.540
tors. eta vs tors. theta energy: 3.365
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: 10, replica: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -154.175812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.175812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.175812 (E_RNA)
where:
Base-Base interactions energy: -40.012
where: short stacking energy: -29.252
Base-Backbone interact. energy: -1.816
local terms energy: -112.347294
where:
bonds (distance) C4'-P energy: -27.922
bonds (distance) P-C4' energy: -35.997
flat angles C4'-P-C4' energy: -28.807
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -537.867365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.867365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.867365 (E_RNA)
where:
Base-Base interactions energy: -347.952
where: short stacking energy: -174.220
Base-Backbone interact. energy: 0.155
local terms energy: -190.069966
where:
bonds (distance) C4'-P energy: -37.041
bonds (distance) P-C4' energy: -34.429
flat angles C4'-P-C4' energy: -36.717
flat angles P-C4'-P energy: -24.366
tors. eta vs tors. theta energy: -57.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -535.996604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.996604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.996604 (E_RNA)
where:
Base-Base interactions energy: -358.185
where: short stacking energy: -158.246
Base-Backbone interact. energy: -2.190
local terms energy: -175.620813
where:
bonds (distance) C4'-P energy: -28.662
bonds (distance) P-C4' energy: -30.503
flat angles C4'-P-C4' energy: -38.858
flat angles P-C4'-P energy: -26.918
tors. eta vs tors. theta energy: -50.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -493.341692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.341692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.341692 (E_RNA)
where:
Base-Base interactions energy: -315.939
where: short stacking energy: -144.668
Base-Backbone interact. energy: -0.378
local terms energy: -177.024497
where:
bonds (distance) C4'-P energy: -33.782
bonds (distance) P-C4' energy: -37.605
flat angles C4'-P-C4' energy: -39.587
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -47.337
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: 9
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -501.395096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.395096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.395096 (E_RNA)
where:
Base-Base interactions energy: -319.516
where: short stacking energy: -139.282
Base-Backbone interact. energy: 2.504
local terms energy: -184.383355
where:
bonds (distance) C4'-P energy: -34.447
bonds (distance) P-C4' energy: -32.676
flat angles C4'-P-C4' energy: -34.649
flat angles P-C4'-P energy: -30.042
tors. eta vs tors. theta energy: -52.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -390.013668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.013668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.013668 (E_RNA)
where:
Base-Base interactions energy: -248.692
where: short stacking energy: -86.312
Base-Backbone interact. energy: -0.643
local terms energy: -140.678098
where:
bonds (distance) C4'-P energy: -29.679
bonds (distance) P-C4' energy: -30.752
flat angles C4'-P-C4' energy: -36.597
flat angles P-C4'-P energy: -20.626
tors. eta vs tors. theta energy: -23.024
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: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -403.615148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.615148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.615148 (E_RNA)
where:
Base-Base interactions energy: -263.008
where: short stacking energy: -115.575
Base-Backbone interact. energy: 0.497
local terms energy: -141.103642
where:
bonds (distance) C4'-P energy: -24.942
bonds (distance) P-C4' energy: -37.124
flat angles C4'-P-C4' energy: -30.050
flat angles P-C4'-P energy: -20.403
tors. eta vs tors. theta energy: -28.584
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: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -209.431042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.431042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.431042 (E_RNA)
where:
Base-Base interactions energy: -92.085
where: short stacking energy: -55.717
Base-Backbone interact. energy: 1.417
local terms energy: -118.763627
where:
bonds (distance) C4'-P energy: -32.710
bonds (distance) P-C4' energy: -33.937
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -24.267
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -165.164927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.164927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.164927 (E_RNA)
where:
Base-Base interactions energy: -69.562
where: short stacking energy: -55.318
Base-Backbone interact. energy: -0.425
local terms energy: -95.177710
where:
bonds (distance) C4'-P energy: -26.716
bonds (distance) P-C4' energy: -29.669
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -146.355116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.355116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.355116 (E_RNA)
where:
Base-Base interactions energy: -43.211
where: short stacking energy: -41.575
Base-Backbone interact. energy: -0.387
local terms energy: -102.756627
where:
bonds (distance) C4'-P energy: -27.346
bonds (distance) P-C4' energy: -32.274
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -143.935355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.935355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.935355 (E_RNA)
where:
Base-Base interactions energy: -55.502
where: short stacking energy: -36.600
Base-Backbone interact. energy: 0.528
local terms energy: -88.962129
where:
bonds (distance) C4'-P energy: -24.254
bonds (distance) P-C4' energy: -27.112
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -20.126
tors. eta vs tors. theta energy: 8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -553.343595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.343595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.343595 (E_RNA)
where:
Base-Base interactions energy: -357.479
where: short stacking energy: -168.582
Base-Backbone interact. energy: 0.295
local terms energy: -196.159681
where:
bonds (distance) C4'-P energy: -34.842
bonds (distance) P-C4' energy: -40.677
flat angles C4'-P-C4' energy: -38.047
flat angles P-C4'-P energy: -22.699
tors. eta vs tors. theta energy: -59.896
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: 2, replica: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -547.295190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.295190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.295190 (E_RNA)
where:
Base-Base interactions energy: -354.203
where: short stacking energy: -160.773
Base-Backbone interact. energy: -1.681
local terms energy: -191.410924
where:
bonds (distance) C4'-P energy: -30.983
bonds (distance) P-C4' energy: -35.528
flat angles C4'-P-C4' energy: -43.084
flat angles P-C4'-P energy: -30.876
tors. eta vs tors. theta energy: -50.940
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: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -503.798084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.798084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.798084 (E_RNA)
where:
Base-Base interactions energy: -323.586
where: short stacking energy: -153.002
Base-Backbone interact. energy: -0.096
local terms energy: -180.115625
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -36.603
flat angles C4'-P-C4' energy: -39.889
flat angles P-C4'-P energy: -29.526
tors. eta vs tors. theta energy: -48.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -492.189998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.189998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.189998 (E_RNA)
where:
Base-Base interactions energy: -335.062
where: short stacking energy: -160.587
Base-Backbone interact. energy: -0.332
local terms energy: -156.796700
where:
bonds (distance) C4'-P energy: -26.072
bonds (distance) P-C4' energy: -30.283
flat angles C4'-P-C4' energy: -32.480
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -49.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -396.579408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.579408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.579408 (E_RNA)
where:
Base-Base interactions energy: -259.309
where: short stacking energy: -104.174
Base-Backbone interact. energy: 0.727
local terms energy: -137.997550
where:
bonds (distance) C4'-P energy: -29.575
bonds (distance) P-C4' energy: -30.372
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: -29.761
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: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -391.392613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.392613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.392613 (E_RNA)
where:
Base-Base interactions energy: -240.128
where: short stacking energy: -113.335
Base-Backbone interact. energy: 0.267
local terms energy: -151.532203
where:
bonds (distance) C4'-P energy: -30.914
bonds (distance) P-C4' energy: -31.088
flat angles C4'-P-C4' energy: -34.262
flat angles P-C4'-P energy: -21.404
tors. eta vs tors. theta energy: -33.864
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: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -197.755288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.755288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.755288 (E_RNA)
where:
Base-Base interactions energy: -77.417
where: short stacking energy: -66.871
Base-Backbone interact. energy: -0.322
local terms energy: -120.016724
where:
bonds (distance) C4'-P energy: -36.206
bonds (distance) P-C4' energy: -34.681
flat angles C4'-P-C4' energy: -31.048
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -1.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -169.851444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.851444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.851444 (E_RNA)
where:
Base-Base interactions energy: -60.647
where: short stacking energy: -45.879
Base-Backbone interact. energy: -0.107
local terms energy: -109.097637
where:
bonds (distance) C4'-P energy: -28.063
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -33.944
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -151.399386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.399386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.399386 (E_RNA)
where:
Base-Base interactions energy: -47.704
where: short stacking energy: -47.113
Base-Backbone interact. energy: -0.883
local terms energy: -102.812385
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -24.618
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: 4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -162.054157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.054157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.054157 (E_RNA)
where:
Base-Base interactions energy: -63.486
where: short stacking energy: -39.553
Base-Backbone interact. energy: -0.203
local terms energy: -98.364730
where:
bonds (distance) C4'-P energy: -26.676
bonds (distance) P-C4' energy: -25.385
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: -4.279
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: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -561.407008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.407008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.407008 (E_RNA)
where:
Base-Base interactions energy: -365.171
where: short stacking energy: -165.535
Base-Backbone interact. energy: 0.101
local terms energy: -196.336433
where:
bonds (distance) C4'-P energy: -41.370
bonds (distance) P-C4' energy: -34.358
flat angles C4'-P-C4' energy: -37.278
flat angles P-C4'-P energy: -26.485
tors. eta vs tors. theta energy: -56.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -534.819842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.819842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.819842 (E_RNA)
where:
Base-Base interactions energy: -355.869
where: short stacking energy: -165.990
Base-Backbone interact. energy: 1.040
local terms energy: -179.991176
where:
bonds (distance) C4'-P energy: -34.770
bonds (distance) P-C4' energy: -32.941
flat angles C4'-P-C4' energy: -37.411
flat angles P-C4'-P energy: -25.797
tors. eta vs tors. theta energy: -49.072
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: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -506.046091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.046091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.046091 (E_RNA)
where:
Base-Base interactions energy: -326.335
where: short stacking energy: -148.431
Base-Backbone interact. energy: -0.526
local terms energy: -179.184794
where:
bonds (distance) C4'-P energy: -34.583
bonds (distance) P-C4' energy: -26.278
flat angles C4'-P-C4' energy: -41.747
flat angles P-C4'-P energy: -22.874
tors. eta vs tors. theta energy: -53.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -478.272022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.272022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.272022 (E_RNA)
where:
Base-Base interactions energy: -309.167
where: short stacking energy: -152.499
Base-Backbone interact. energy: -0.198
local terms energy: -168.906298
where:
bonds (distance) C4'-P energy: -30.284
bonds (distance) P-C4' energy: -29.923
flat angles C4'-P-C4' energy: -32.864
flat angles P-C4'-P energy: -26.254
tors. eta vs tors. theta energy: -49.581
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: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -374.198400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.198400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.198400 (E_RNA)
where:
Base-Base interactions energy: -234.672
where: short stacking energy: -105.704
Base-Backbone interact. energy: -0.511
local terms energy: -139.014632
where:
bonds (distance) C4'-P energy: -29.688
bonds (distance) P-C4' energy: -34.893
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -26.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -391.040184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.040184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.040184 (E_RNA)
where:
Base-Base interactions energy: -245.175
where: short stacking energy: -119.916
Base-Backbone interact. energy: -0.006
local terms energy: -145.858839
where:
bonds (distance) C4'-P energy: -30.132
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -32.152
flat angles P-C4'-P energy: -25.286
tors. eta vs tors. theta energy: -34.097
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: 7, replica: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -209.461662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.461662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.461662 (E_RNA)
where:
Base-Base interactions energy: -81.088
where: short stacking energy: -57.559
Base-Backbone interact. energy: 0.057
local terms energy: -128.431598
where:
bonds (distance) C4'-P energy: -28.101
bonds (distance) P-C4' energy: -34.063
flat angles C4'-P-C4' energy: -30.302
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: -10.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -183.628715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.628715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.628715 (E_RNA)
where:
Base-Base interactions energy: -62.398
where: short stacking energy: -47.422
Base-Backbone interact. energy: -0.150
local terms energy: -121.080042
where:
bonds (distance) C4'-P energy: -39.351
bonds (distance) P-C4' energy: -29.641
flat angles C4'-P-C4' energy: -28.083
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -7.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -159.655700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.655700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.655700 (E_RNA)
where:
Base-Base interactions energy: -60.976
where: short stacking energy: -49.192
Base-Backbone interact. energy: -0.027
local terms energy: -98.652029
where:
bonds (distance) C4'-P energy: -26.376
bonds (distance) P-C4' energy: -33.761
flat angles C4'-P-C4' energy: -25.918
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: 3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -164.714896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.714896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.714896 (E_RNA)
where:
Base-Base interactions energy: -69.935
where: short stacking energy: -54.504
Base-Backbone interact. energy: -0.563
local terms energy: -94.217127
where:
bonds (distance) C4'-P energy: -32.083
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -16.110
tors. eta vs tors. theta energy: -1.901
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: 457
Temperature: 0.900000
Total energy: -558.800816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.800816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.800816 (E_RNA)
where:
Base-Base interactions energy: -371.892
where: short stacking energy: -172.238
Base-Backbone interact. energy: -0.395
local terms energy: -186.514099
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -34.204
flat angles C4'-P-C4' energy: -38.060
flat angles P-C4'-P energy: -27.610
tors. eta vs tors. theta energy: -57.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -547.975975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.975975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.975975 (E_RNA)
where:
Base-Base interactions energy: -357.739
where: short stacking energy: -166.781
Base-Backbone interact. energy: -0.342
local terms energy: -189.894943
where:
bonds (distance) C4'-P energy: -33.283
bonds (distance) P-C4' energy: -32.962
flat angles C4'-P-C4' energy: -39.385
flat angles P-C4'-P energy: -26.220
tors. eta vs tors. theta energy: -58.045
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: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -513.661645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.661645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.661645 (E_RNA)
where:
Base-Base interactions energy: -329.673
where: short stacking energy: -150.187
Base-Backbone interact. energy: -2.017
local terms energy: -181.971598
where:
bonds (distance) C4'-P energy: -35.805
bonds (distance) P-C4' energy: -38.198
flat angles C4'-P-C4' energy: -35.343
flat angles P-C4'-P energy: -24.779
tors. eta vs tors. theta energy: -47.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -481.235778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.235778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.235778 (E_RNA)
where:
Base-Base interactions energy: -308.516
where: short stacking energy: -142.501
Base-Backbone interact. energy: -0.355
local terms energy: -172.365173
where:
bonds (distance) C4'-P energy: -32.695
bonds (distance) P-C4' energy: -30.639
flat angles C4'-P-C4' energy: -39.566
flat angles P-C4'-P energy: -24.018
tors. eta vs tors. theta energy: -45.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -382.402387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.402387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.402387 (E_RNA)
where:
Base-Base interactions energy: -221.834
where: short stacking energy: -111.338
Base-Backbone interact. energy: -1.214
local terms energy: -159.353946
where:
bonds (distance) C4'-P energy: -32.761
bonds (distance) P-C4' energy: -34.865
flat angles C4'-P-C4' energy: -36.732
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -30.637
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: 457
Temperature: 1.150000
Total energy: -368.294959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.294959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.294959 (E_RNA)
where:
Base-Base interactions energy: -226.424
where: short stacking energy: -103.761
Base-Backbone interact. energy: 1.349
local terms energy: -143.219801
where:
bonds (distance) C4'-P energy: -34.117
bonds (distance) P-C4' energy: -35.741
flat angles C4'-P-C4' energy: -28.908
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -31.768
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: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -214.950393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.950393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.950393 (E_RNA)
where:
Base-Base interactions energy: -87.612
where: short stacking energy: -58.813
Base-Backbone interact. energy: 0.013
local terms energy: -127.352089
where:
bonds (distance) C4'-P energy: -34.509
bonds (distance) P-C4' energy: -34.998
flat angles C4'-P-C4' energy: -27.517
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -163.736040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.736040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.736040 (E_RNA)
where:
Base-Base interactions energy: -55.886
where: short stacking energy: -55.886
Base-Backbone interact. energy: -0.154
local terms energy: -107.696118
where:
bonds (distance) C4'-P energy: -31.200
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -28.353
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -5.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -165.802167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.802167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.802167 (E_RNA)
where:
Base-Base interactions energy: -57.828
where: short stacking energy: -29.887
Base-Backbone interact. energy: 0.474
local terms energy: -108.447965
where:
bonds (distance) C4'-P energy: -37.325
bonds (distance) P-C4' energy: -36.540
flat angles C4'-P-C4' energy: -28.419
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: 7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -142.392451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.392451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.392451 (E_RNA)
where:
Base-Base interactions energy: -37.690
where: short stacking energy: -28.383
Base-Backbone interact. energy: -3.450
local terms energy: -101.251998
where:
bonds (distance) C4'-P energy: -33.536
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -23.088
tors. eta vs tors. theta energy: 5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -566.025997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.025997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.025997 (E_RNA)
where:
Base-Base interactions energy: -377.994
where: short stacking energy: -177.004
Base-Backbone interact. energy: -0.052
local terms energy: -187.980638
where:
bonds (distance) C4'-P energy: -33.466
bonds (distance) P-C4' energy: -34.081
flat angles C4'-P-C4' energy: -37.798
flat angles P-C4'-P energy: -24.715
tors. eta vs tors. theta energy: -57.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -545.690027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.690027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.690027 (E_RNA)
where:
Base-Base interactions energy: -357.431
where: short stacking energy: -174.598
Base-Backbone interact. energy: -0.006
local terms energy: -188.253287
where:
bonds (distance) C4'-P energy: -32.205
bonds (distance) P-C4' energy: -38.272
flat angles C4'-P-C4' energy: -38.975
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -59.635
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: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -519.068657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.068657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.068657 (E_RNA)
where:
Base-Base interactions energy: -345.685
where: short stacking energy: -156.546
Base-Backbone interact. energy: 1.578
local terms energy: -174.961223
where:
bonds (distance) C4'-P energy: -25.504
bonds (distance) P-C4' energy: -32.878
flat angles C4'-P-C4' energy: -39.414
flat angles P-C4'-P energy: -28.428
tors. eta vs tors. theta energy: -48.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -420.698207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.698207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.698207 (E_RNA)
where:
Base-Base interactions energy: -263.027
where: short stacking energy: -116.528
Base-Backbone interact. energy: -0.901
local terms energy: -156.770950
where:
bonds (distance) C4'-P energy: -30.646
bonds (distance) P-C4' energy: -36.447
flat angles C4'-P-C4' energy: -32.871
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -39.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -386.724998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.724998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.724998 (E_RNA)
where:
Base-Base interactions energy: -233.758
where: short stacking energy: -110.463
Base-Backbone interact. energy: -0.397
local terms energy: -152.569668
where:
bonds (distance) C4'-P energy: -30.508
bonds (distance) P-C4' energy: -30.955
flat angles C4'-P-C4' energy: -37.818
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -36.881
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: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -380.031043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.031043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.031043 (E_RNA)
where:
Base-Base interactions energy: -248.254
where: short stacking energy: -106.199
Base-Backbone interact. energy: -0.222
local terms energy: -131.555571
where:
bonds (distance) C4'-P energy: -33.483
bonds (distance) P-C4' energy: -35.589
flat angles C4'-P-C4' energy: -32.715
flat angles P-C4'-P energy: -3.578
tors. eta vs tors. theta energy: -26.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -172.085269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.085269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.085269 (E_RNA)
where:
Base-Base interactions energy: -58.189
where: short stacking energy: -40.278
Base-Backbone interact. energy: -1.231
local terms energy: -112.665805
where:
bonds (distance) C4'-P energy: -31.684
bonds (distance) P-C4' energy: -32.135
flat angles C4'-P-C4' energy: -28.148
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -172.117889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.117889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.117889 (E_RNA)
where:
Base-Base interactions energy: -61.199
where: short stacking energy: -51.201
Base-Backbone interact. energy: 0.976
local terms energy: -111.894816
where:
bonds (distance) C4'-P energy: -22.887
bonds (distance) P-C4' energy: -27.232
flat angles C4'-P-C4' energy: -35.147
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -8.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -153.291696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.291696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.291696 (E_RNA)
where:
Base-Base interactions energy: -61.568
where: short stacking energy: -40.813
Base-Backbone interact. energy: 1.961
local terms energy: -93.684085
where:
bonds (distance) C4'-P energy: -34.751
bonds (distance) P-C4' energy: -31.220
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: 7.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -149.948237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.948237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.948237 (E_RNA)
where:
Base-Base interactions energy: -53.564
where: short stacking energy: -45.081
Base-Backbone interact. energy: 0.465
local terms energy: -96.849532
where:
bonds (distance) C4'-P energy: -24.667
bonds (distance) P-C4' energy: -31.634
flat angles C4'-P-C4' energy: -30.562
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: 1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -566.741941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.741941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.741941 (E_RNA)
where:
Base-Base interactions energy: -371.281
where: short stacking energy: -181.862
Base-Backbone interact. energy: 0.980
local terms energy: -196.440145
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -39.626
flat angles C4'-P-C4' energy: -41.670
flat angles P-C4'-P energy: -30.208
tors. eta vs tors. theta energy: -60.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -527.444399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.444399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.444399 (E_RNA)
where:
Base-Base interactions energy: -342.798
where: short stacking energy: -159.416
Base-Backbone interact. energy: 0.241
local terms energy: -184.887671
where:
bonds (distance) C4'-P energy: -28.302
bonds (distance) P-C4' energy: -42.121
flat angles C4'-P-C4' energy: -36.515
flat angles P-C4'-P energy: -25.317
tors. eta vs tors. theta energy: -52.632
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: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -522.100948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.100948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.100948 (E_RNA)
where:
Base-Base interactions energy: -338.872
where: short stacking energy: -144.082
Base-Backbone interact. energy: -1.519
local terms energy: -181.709924
where:
bonds (distance) C4'-P energy: -34.951
bonds (distance) P-C4' energy: -28.650
flat angles C4'-P-C4' energy: -40.749
flat angles P-C4'-P energy: -28.188
tors. eta vs tors. theta energy: -49.171
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: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -469.136069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.136069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.136069 (E_RNA)
where:
Base-Base interactions energy: -297.133
where: short stacking energy: -133.414
Base-Backbone interact. energy: -0.392
local terms energy: -171.611856
where:
bonds (distance) C4'-P energy: -34.283
bonds (distance) P-C4' energy: -29.795
flat angles C4'-P-C4' energy: -37.925
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: -46.032
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: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -423.929895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.929895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.929895 (E_RNA)
where:
Base-Base interactions energy: -258.237
where: short stacking energy: -145.634
Base-Backbone interact. energy: 0.379
local terms energy: -166.071407
where:
bonds (distance) C4'-P energy: -30.935
bonds (distance) P-C4' energy: -32.518
flat angles C4'-P-C4' energy: -33.036
flat angles P-C4'-P energy: -25.478
tors. eta vs tors. theta energy: -44.105
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: 6, replica: 8
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -373.510594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.510594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.510594 (E_RNA)
where:
Base-Base interactions energy: -234.107
where: short stacking energy: -101.601
Base-Backbone interact. energy: -1.059
local terms energy: -138.344857
where:
bonds (distance) C4'-P energy: -26.297
bonds (distance) P-C4' energy: -36.126
flat angles C4'-P-C4' energy: -31.503
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -29.618
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: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -193.103411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.103411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.103411 (E_RNA)
where:
Base-Base interactions energy: -85.385
where: short stacking energy: -65.596
Base-Backbone interact. energy: -0.472
local terms energy: -107.246551
where:
bonds (distance) C4'-P energy: -32.356
bonds (distance) P-C4' energy: -25.398
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -8.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -189.857218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.857218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.857218 (E_RNA)
where:
Base-Base interactions energy: -78.056
where: short stacking energy: -53.691
Base-Backbone interact. energy: -0.441
local terms energy: -111.359873
where:
bonds (distance) C4'-P energy: -28.434
bonds (distance) P-C4' energy: -32.675
flat angles C4'-P-C4' energy: -38.624
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: 3.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -161.030757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.030757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.030757 (E_RNA)
where:
Base-Base interactions energy: -52.266
where: short stacking energy: -42.586
Base-Backbone interact. energy: 0.747
local terms energy: -109.510991
where:
bonds (distance) C4'-P energy: -28.625
bonds (distance) P-C4' energy: -35.421
flat angles C4'-P-C4' energy: -27.971
flat angles P-C4'-P energy: -18.938
tors. eta vs tors. theta energy: 1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -140.636797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.636797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.636797 (E_RNA)
where:
Base-Base interactions energy: -23.703
where: short stacking energy: -23.480
Base-Backbone interact. energy: -0.722
local terms energy: -116.211964
where:
bonds (distance) C4'-P energy: -37.411
bonds (distance) P-C4' energy: -37.118
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: 1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -563.916469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.916469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.916469 (E_RNA)
where:
Base-Base interactions energy: -371.084
where: short stacking energy: -171.848
Base-Backbone interact. energy: -0.118
local terms energy: -192.714609
where:
bonds (distance) C4'-P energy: -36.251
bonds (distance) P-C4' energy: -30.603
flat angles C4'-P-C4' energy: -40.442
flat angles P-C4'-P energy: -25.114
tors. eta vs tors. theta energy: -60.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -517.469983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.469983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.469983 (E_RNA)
where:
Base-Base interactions energy: -327.783
where: short stacking energy: -157.242
Base-Backbone interact. energy: -0.164
local terms energy: -189.522749
where:
bonds (distance) C4'-P energy: -35.883
bonds (distance) P-C4' energy: -40.802
flat angles C4'-P-C4' energy: -39.366
flat angles P-C4'-P energy: -22.152
tors. eta vs tors. theta energy: -51.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -506.633356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.633356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.633356 (E_RNA)
where:
Base-Base interactions energy: -325.843
where: short stacking energy: -151.982
Base-Backbone interact. energy: -0.445
local terms energy: -180.346065
where:
bonds (distance) C4'-P energy: -35.262
bonds (distance) P-C4' energy: -30.105
flat angles C4'-P-C4' energy: -40.494
flat angles P-C4'-P energy: -27.495
tors. eta vs tors. theta energy: -46.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -458.097352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.097352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.097352 (E_RNA)
where:
Base-Base interactions energy: -306.714
where: short stacking energy: -147.007
Base-Backbone interact. energy: -0.123
local terms energy: -151.259548
where:
bonds (distance) C4'-P energy: -27.276
bonds (distance) P-C4' energy: -23.746
flat angles C4'-P-C4' energy: -38.495
flat angles P-C4'-P energy: -19.030
tors. eta vs tors. theta energy: -42.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -419.689783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.689783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.689783 (E_RNA)
where:
Base-Base interactions energy: -260.346
where: short stacking energy: -114.280
Base-Backbone interact. energy: -0.254
local terms energy: -159.090302
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -35.850
flat angles C4'-P-C4' energy: -38.334
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -32.090
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: 460
Temperature: 1.150000
Total energy: -380.619364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.619364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.619364 (E_RNA)
where:
Base-Base interactions energy: -226.360
where: short stacking energy: -101.594
Base-Backbone interact. energy: -0.267
local terms energy: -153.992622
where:
bonds (distance) C4'-P energy: -35.320
bonds (distance) P-C4' energy: -30.344
flat angles C4'-P-C4' energy: -36.817
flat angles P-C4'-P energy: -21.784
tors. eta vs tors. theta energy: -29.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -228.826463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.826463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.826463 (E_RNA)
where:
Base-Base interactions energy: -122.997
where: short stacking energy: -74.127
Base-Backbone interact. energy: -0.712
local terms energy: -105.118349
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -26.261
flat angles C4'-P-C4' energy: -27.291
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -180.484421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.484421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.484421 (E_RNA)
where:
Base-Base interactions energy: -59.188
where: short stacking energy: -35.486
Base-Backbone interact. energy: -1.189
local terms energy: -120.107330
where:
bonds (distance) C4'-P energy: -38.215
bonds (distance) P-C4' energy: -36.705
flat angles C4'-P-C4' energy: -25.051
flat angles P-C4'-P energy: -21.731
tors. eta vs tors. theta energy: 1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -166.274730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.274730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.274730 (E_RNA)
where:
Base-Base interactions energy: -56.299
where: short stacking energy: -49.868
Base-Backbone interact. energy: -1.397
local terms energy: -108.578734
where:
bonds (distance) C4'-P energy: -21.053
bonds (distance) P-C4' energy: -36.766
flat angles C4'-P-C4' energy: -28.918
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -144.425465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.425465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.425465 (E_RNA)
where:
Base-Base interactions energy: -48.248
where: short stacking energy: -35.664
Base-Backbone interact. energy: -0.682
local terms energy: -95.495433
where:
bonds (distance) C4'-P energy: -36.371
bonds (distance) P-C4' energy: -28.903
flat angles C4'-P-C4' energy: -21.462
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: 3.857
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: 1, replica: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -558.855135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.855135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.855135 (E_RNA)
where:
Base-Base interactions energy: -364.747
where: short stacking energy: -183.077
Base-Backbone interact. energy: -0.238
local terms energy: -193.870331
where:
bonds (distance) C4'-P energy: -34.310
bonds (distance) P-C4' energy: -31.780
flat angles C4'-P-C4' energy: -41.937
flat angles P-C4'-P energy: -25.683
tors. eta vs tors. theta energy: -60.161
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: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -519.056114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.056114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.056114 (E_RNA)
where:
Base-Base interactions energy: -339.423
where: short stacking energy: -151.801
Base-Backbone interact. energy: -0.527
local terms energy: -179.105841
where:
bonds (distance) C4'-P energy: -35.257
bonds (distance) P-C4' energy: -40.916
flat angles C4'-P-C4' energy: -35.262
flat angles P-C4'-P energy: -18.328
tors. eta vs tors. theta energy: -49.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -504.431937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.431937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.431937 (E_RNA)
where:
Base-Base interactions energy: -322.290
where: short stacking energy: -151.862
Base-Backbone interact. energy: -0.127
local terms energy: -182.015629
where:
bonds (distance) C4'-P energy: -35.274
bonds (distance) P-C4' energy: -35.636
flat angles C4'-P-C4' energy: -36.987
flat angles P-C4'-P energy: -22.312
tors. eta vs tors. theta energy: -51.806
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: 9
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -476.255125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.255125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.255125 (E_RNA)
where:
Base-Base interactions energy: -310.019
where: short stacking energy: -142.643
Base-Backbone interact. energy: -0.148
local terms energy: -166.087951
where:
bonds (distance) C4'-P energy: -26.993
bonds (distance) P-C4' energy: -32.228
flat angles C4'-P-C4' energy: -37.791
flat angles P-C4'-P energy: -27.678
tors. eta vs tors. theta energy: -41.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -435.207185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.207185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.207185 (E_RNA)
where:
Base-Base interactions energy: -284.065
where: short stacking energy: -109.275
Base-Backbone interact. energy: -0.120
local terms energy: -151.022486
where:
bonds (distance) C4'-P energy: -32.422
bonds (distance) P-C4' energy: -28.398
flat angles C4'-P-C4' energy: -37.130
flat angles P-C4'-P energy: -19.593
tors. eta vs tors. theta energy: -33.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -377.475475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.475475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.475475 (E_RNA)
where:
Base-Base interactions energy: -222.551
where: short stacking energy: -103.729
Base-Backbone interact. energy: 0.843
local terms energy: -155.767832
where:
bonds (distance) C4'-P energy: -38.028
bonds (distance) P-C4' energy: -28.812
flat angles C4'-P-C4' energy: -29.322
flat angles P-C4'-P energy: -25.172
tors. eta vs tors. theta energy: -34.434
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: 461
Temperature: 1.200000
Total energy: -230.068539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.068539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.068539 (E_RNA)
where:
Base-Base interactions energy: -112.996
where: short stacking energy: -67.325
Base-Backbone interact. energy: -0.684
local terms energy: -116.389145
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -38.486
flat angles C4'-P-C4' energy: -25.863
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -228.638733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.638733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.638733 (E_RNA)
where:
Base-Base interactions energy: -131.068
where: short stacking energy: -68.049
Base-Backbone interact. energy: 1.226
local terms energy: -98.797213
where:
bonds (distance) C4'-P energy: -32.165
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -8.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -143.147792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.147792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.147792 (E_RNA)
where:
Base-Base interactions energy: -39.645
where: short stacking energy: -37.066
Base-Backbone interact. energy: 0.174
local terms energy: -103.676584
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -37.143
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: -2.926
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: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -147.207279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.207279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.207279 (E_RNA)
where:
Base-Base interactions energy: -44.581
where: short stacking energy: -35.965
Base-Backbone interact. energy: 1.429
local terms energy: -104.055322
where:
bonds (distance) C4'-P energy: -27.886
bonds (distance) P-C4' energy: -35.648
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: 5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -572.295444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.295444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.295444 (E_RNA)
where:
Base-Base interactions energy: -364.132
where: short stacking energy: -177.164
Base-Backbone interact. energy: -0.046
local terms energy: -208.118028
where:
bonds (distance) C4'-P energy: -36.882
bonds (distance) P-C4' energy: -41.247
flat angles C4'-P-C4' energy: -41.499
flat angles P-C4'-P energy: -27.287
tors. eta vs tors. theta energy: -61.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -512.585030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.585030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.585030 (E_RNA)
where:
Base-Base interactions energy: -327.633
where: short stacking energy: -165.926
Base-Backbone interact. energy: -0.551
local terms energy: -184.401224
where:
bonds (distance) C4'-P energy: -30.521
bonds (distance) P-C4' energy: -39.005
flat angles C4'-P-C4' energy: -39.076
flat angles P-C4'-P energy: -24.275
tors. eta vs tors. theta energy: -51.525
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: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -502.233114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.233114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.233114 (E_RNA)
where:
Base-Base interactions energy: -319.539
where: short stacking energy: -145.002
Base-Backbone interact. energy: -0.241
local terms energy: -182.452850
where:
bonds (distance) C4'-P energy: -33.433
bonds (distance) P-C4' energy: -39.501
flat angles C4'-P-C4' energy: -36.022
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -52.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -482.405626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.405626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.405626 (E_RNA)
where:
Base-Base interactions energy: -314.753
where: short stacking energy: -146.178
Base-Backbone interact. energy: 0.023
local terms energy: -167.675154
where:
bonds (distance) C4'-P energy: -31.631
bonds (distance) P-C4' energy: -30.580
flat angles C4'-P-C4' energy: -35.967
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -45.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -437.336723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.336723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.336723 (E_RNA)
where:
Base-Base interactions energy: -298.000
where: short stacking energy: -125.221
Base-Backbone interact. energy: 2.532
local terms energy: -141.868865
where:
bonds (distance) C4'-P energy: -32.634
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -34.027
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -34.950
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: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -352.387003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.387003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.387003 (E_RNA)
where:
Base-Base interactions energy: -210.924
where: short stacking energy: -120.559
Base-Backbone interact. energy: -0.336
local terms energy: -141.126560
where:
bonds (distance) C4'-P energy: -27.635
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -33.564
flat angles P-C4'-P energy: -20.773
tors. eta vs tors. theta energy: -33.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -237.811601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.811601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.811601 (E_RNA)
where:
Base-Base interactions energy: -135.461
where: short stacking energy: -56.993
Base-Backbone interact. energy: -0.881
local terms energy: -101.469786
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -34.342
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -19.729
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -204.801606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.801606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.801606 (E_RNA)
where:
Base-Base interactions energy: -94.100
where: short stacking energy: -51.523
Base-Backbone interact. energy: -0.490
local terms energy: -110.211711
where:
bonds (distance) C4'-P energy: -35.205
bonds (distance) P-C4' energy: -28.721
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -180.111170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.111170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.111170 (E_RNA)
where:
Base-Base interactions energy: -68.714
where: short stacking energy: -47.242
Base-Backbone interact. energy: -0.827
local terms energy: -110.570611
where:
bonds (distance) C4'-P energy: -28.788
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -31.276
flat angles P-C4'-P energy: -18.610
tors. eta vs tors. theta energy: -7.027
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: 5
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -148.938400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.938400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.938400 (E_RNA)
where:
Base-Base interactions energy: -47.911
where: short stacking energy: -40.816
Base-Backbone interact. energy: -0.795
local terms energy: -100.232180
where:
bonds (distance) C4'-P energy: -29.951
bonds (distance) P-C4' energy: -32.448
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: 1.870
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)
out arg RESULTS//1/evo_s1-9234e141_01
DONE
DONE
DONE
DONE
DONE
DONE